HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1453,
"next": "https://mitotox.org/api/compounds/list?format=api&page=10",
"previous": "https://mitotox.org/api/compounds/list?format=api&page=8",
"results": [
{
"compound_ID": "D0826",
"name": "c.i. basic red 9 monohydrochloride",
"synonyms": "Basic Red 9; 569-61-9; Pararosaniline hydrochloride; Parafuchsin; Pararosaniline chloride; Parafuchsine; p-Fuchsin; CI Basic Red 9; C.I. Basic Red 9; Parafuksin; Fuchsine SP; Fuchsine SPC; BASIC PARAFUCHSINE; Calcozine magenta N; p-Rosaniline hydrochloride; C.I. Basic Red 9 monohydrochloride; 4,4'-((4-Iminocyclohexa-2,5-dien-1-ylidene)methylene)dianiline hydrochloride; Fuchsine DR-001; C.I. 42500; Paraosaniline hydrochloride; Parafuchsin [German]; Basic Parafuchsin; ParaMagenta; p-rosaniline; Orient Para Magenta Base; Schultz-tab No. 779; NCI-C54739; CI Basic Red 9, monohydrochloride; p-Rosaniline HCl; p-Rosaniline.HCl; Cerven zasadita 9 [Czech]; UNII-444C2M8JKN; C.I. Basic Red 9, monohydrochloride; CCRIS 1350; C.I. Basic Red 9 (VAN); HSDB 2952; Schultz-tab. No. 779 [German]; EINECS 209-321-2; NSC 10460; 4,4'-(4-Iminocyclohexa-2,5-dienylidenemethylene)dianiline hydrochloride; 444C2M8JKN; CHEBI:82303; Parasaniline; 4,4'4''-Triaminotriphenylmethan-hydrochlorid [German]; Para Magenta; C.I. Basic Red 9 [Magenta (containing C.I. Basic Red 9)]; Magentatrade mark O; 4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methanediyl]dianiline hydrochloride; 4,4'-((4-Imino-2,5-cyclohexadien-1-ylidene)methylene)dianiline monohydrochloride; C19H18ClN3; 4-Toluidine, alpha-(p-aminophenyl)-alpha-(4-imino-2,5-cyclohexadien-1-ylidene)-monohydrochloride; Pararosaniline chloride, 98%, pure; Cerven zasadita 9; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-, monohydrochloride; NSC10460; NSC-10460; Parafuchsin hydrochloride; Paramagenta hydrochloride; Schultz-tab. No. 779; Pararosaniline chloride, pure, high purity biological stain; Pararosanilin; P ararosanilin; Fuchsine, Acid; magenta 0; 4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]dianiline hydrochloride; MFCD00001657; 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl]phenylamine, chlori de; Schultz-tab. no.779; Benzenamine, 4,4'-((4-imino-2,5-cyclohexadien-1-ylidene)methylene)bis-, hydrochloride (1:1); DSSTox_CID_1247; 4,4'4''-Triaminotriphenylmethan-hydrochlorid; 4,4',4\"-Triaminotriphenylmethane hydrochloride; 4,4',4''-Triaminotriphenylmethane hydrochloride; DSSTox_RID_76037; DSSTox_GSID_21247; ARONIS27070; C19H18N3.Cl; Basic Red 9, monohydrochloride; CHEMBL1609459; DTXSID1021247; Basic Red 9, monohydrochlori de; CHEBI:87663; KS-00000YDQ; C.I. Basic Red 9 Hydrochloride; Basic Red 9, analytical standard; JUQPZRLQQYSMEQ-UHFFFAOYSA-N; KS-000048KD; Basic Fuchsin, Dye content >85 %; Tox21_303581; SBB057267; AKOS015894465; FS-3794; LS-1385; MCULE-9655861972; WLN: L6Y DHJ AUM DYR DZ&R DZ; NCGC00091938-01; NCGC00257440-01; AK123363; CAS-569-61-9; T317; 4,4''-Triaminotriphenylmethan-hydrochlorid; ST2417859; P0599; P2052; Pararosaniline hydrochloride (C.I. 42500); C.I. Basic Red 9, monohydrochloride (8CI); C19210; Pararosaniline chloride, high purity biological stain; Q27890208; 4-Toluidine,5-cyclohexadien-1-ylidene)-monohydrochloride; 4-Toluidine,5-cyclohexadien-1-ylidene)- monohydrochloride; UNII-5P5C03819W component JUQPZRLQQYSMEQ-UHFFFAOYSA-N; Benzenamine,5-cyclohexadien-1-ylidene)methyl],monohydrochloride; 4,5-cyclohexadien-1-ylidene)methylene]dianiline monohydrochloride; Benzenamine,5-cyclohexadien-1-ylidene)methyl], monohydrochloride; Benzenamine,5-cyclohexadien-1-ylidene)methyl]-, monohydrochloride; 4,4'-((4-iminocyclohexa-2,5-dienylidene)methylene)dianiline hydrochloride; 4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-iminium chloride; Pararosaniline hydrochloride, certified by the Biological Stain Commission; {4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]phenyl}amine hydrochloride; 4,4'-[(4-Iminocyclohexa-2,5-dien-1-ylidene)methylene]dianiline--hydrogen chloride (1/1); 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)benzenamine monohydrochloride; 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride; Basic Fuchsin, certified by the Biological Stain Commission, Dye content >=88 %; Benzenamine, 4,4'-((4-imino-2,5-cyclohexadien-1-ylidene)methylene)bis-, monohydrochloride; Benzenamine,4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-,monohydrochloride; C.I. BASIC RED 9 MONOHYDROCHLORIDE (ALSO KNOWNAS P-ROSANILINE SEE ALSO 548-62-9 AND 3248-93-9);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H18ClN3",
"molecular_weight": "323.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "11292",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01831",
"RC02452",
"RC03073"
]
},
{
"compound_ID": "D0827",
"name": "c.i. basic violet 14",
"synonyms": "Basic violet 14; 632-99-5; Fuchsin; Fuchsin basic; Rosaniline; MAGENTA; Basic magenta; Fuchsin, basic; C.I. Basic Violet 14; Fuchsine; Rosaniline hydrochloride; Basic fuchsine; Rose aniline; Magenta I; Rosaniline chloride; Rosanilinium chloride; Aizen magenta; Methyl fuchsin; Diamond Fuchsin; Aniline red; Mitsui Magenta; Diabasic magenta; Diamond fuchsine; Fuchsine A; Fuchsine G; Fuchsine N; Fuchsine Y; Fuchsine CS; Fuchsine HO; Magenta E; Magenta G; Magenta S; Magenta superfine; Fuchsine Crystals; Fuchsine RTN; Astra fuchsine B; Cerise B; Magenta DP; Magenta PN; Magenta Powder N; Calcozine magenta XX; Orient Basic Magenta; Calcozine fuchsine HO; Calcozine Magenta RTN; Magenta Large Crystals; CI Basic Violet 14; Basic magenta E-200; Magenta supertine; Rosanilinium hydrochloride; C.I. 42510; Magenta Super Fine; C-WR Violet 8; Calcozine Magenta RIN; rosanilin; Basic Fuchsine (VAN); 12418 Red; Rosaniline.HCl; Solvent Red 41; CI 42510; UNII-8UUC89LHB2; CCRIS 366; Violet zasadita 14 [Czech]; CI Basic Violet 14, monohydrochloride; C.I. Basic Violet 14 monohydrochloride; Manufacture of magenta; HSDB 6192; NSC93739; EINECS 211-189-6; MFCD00012569; NSC 10466; NSC 93739; 4-Amino-m-tolyl-bis(4-aminophenyl)methane chloride; 8UUC89LHB2; C.I. Basic Violet 14, monohydrochloride; AI3-18324; CHEBI:87665; Fuchsine base (monohydrochloride); BASIC FUCHSIN HYDROCHLORIDE; Magenta I [Magenta (containing C.I. Basic Red 9)]; (4-(4-Aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride; 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride; DSSTox_CID_1246; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methylbenzenamine HCl; DSSTox_RID_76036; Basic Fuchsin, 88%, pure; DSSTox_GSID_21246; 58969-01-0; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, monohydrochloride; Basic Fuchsin, 70+%, pure, certified; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2- methylbenzenamine monohydrochloride; Benzeneamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, monohydrochloride; CAS-632-99-5; Violet zasadita 14; NSC10466; Fuchsin, basic [USP]; WLN: L6Y DYJ AUYR DZ&R DZ C1& DUM &GH; NCGC00166015-01; Rosaniline Dyes; Basic Fuchsin (BV14) Magenta (C.I. 42510); Magentatrade mark; 2-Methyl-4,5-cyclohexadien-1-ylidene)methylene]dianiline hydrochloride; Benzenamine,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride; 2, .alpha.(sup4)-(p-aminophenyl)-.alpha.(sup4)-(4-imino-2,5-cyclohexadien-1-ylidene)-, monohydrochloride; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, hydrochloride (1:1); Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, hydrochloride (1:1); Basic blue 14; MAGENTA CRYSTALS; Schiff Reagent Solution; SCHEMBL23402; C20H19N3.HCl; Basic Violet 14 hydrochloride; Fuchsine basic monohydrochloride; CHEMBL1979636; DTXSID6021246; HY-B1539A; Tox21_112288; Tox21_202790; LS-275; NSC-10466; NSC-93739; AKOS015902644; BASIC FUCHSIN, BIOLOGICAL STAIN; MCULE-3364364619; NCGC00260336-01; T322; CS-0013370; FT-0626556; C19252; F-7910; C.I. Basic Violet 14, monohydrochloride (8CI); Q419167; UNII-5P5C03819W component NIKFYOSELWJIOF-SVFFXJIWSA-N; 4-((4-AMINO-3-ME-PH)(4-AMINO-PH)METHYLENE)-2,5-CYCLOHEXADIEN-1-IMINIUM CHLORIDE; 4-((4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride; 4-[(4-amino-3-methylphenyl)(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-iminium chloride; 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline;hydrochloride; 4-{(Z)-(4-aminophenyl)[(4Z)-4-iminocyclohexa-2,5-dien-1-ylidene]methyl}-2-methylaniline hydrochloride; Benzenamine,4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H20ClN3",
"molecular_weight": "337.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "12447",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01832",
"RC02453",
"RC03074"
]
},
{
"compound_ID": "D0828",
"name": "c.i. disperse blue 27",
"synonyms": "C.I. DISPERSE BLUE 27; Disperse Blue 27; 15791-78-3; Serisol Fast Blue BGLW; Eastman Fast Blue B-GLF; C.I. 60767; EINECS 239-891-8; 1,8-Dihydroxy-4-(4'-beta-hydroxyethyl)anilino-6-nitroanthroquinone; 1,8-Dihydroxy-4-(p-(2-hydroxyethyl)anilino)-5-nitroanthraquinone; 9,10-Anthracenedione, 1,8-dihydroxy-4-((4-(2-hydroxyethyl)phenyl)amino)-5-nitro-; Anthraquinone, 1,8-dihydroxy-4-(p-(2-hydroxyethyl)anilino)-5-nitro-; 1,8-Dihydroxy-4-((4-(2-hydroxyethyl)phenyl)amino)-5-nitroanthraquinone; 1,8-Dihydroxy-4-[[4-(2-hydroxyethyl)phenyl]amino]-5-nitroanthraquinone; 9,10-Anthracenedione, 1,8-dihydroxy-4-[[4-(2-hydroxyethyl)phenyl]amino]-5-nitro-; Ci disperse blue 27; DSSTox_CID_5209; DSSTox_RID_77701; DSSTox_GSID_25209; SCHEMBL5360956; CHEMBL3188093; DTXSID3025209; Tox21_301887; 1,8-Dihydroxy-4-nitro-5-(N-(p-phenethylalcohol)amino)anthraquinone; LS-904; ZINC33839095; 1,8-dihydroxy-4-[4-(2-hydroxyethyl)anilino]-5-nitroanthracene-9,10-dione; AKOS015914027; MCULE-2849136824; NCGC00255296-01; CAS-15791-78-3; 791C783; 1,8-dihydroxy-4-[4-(2-hydroxyethyl)anilino]-5-nitroanthra-9,10-quinone; 1,8-dihydroxy-4-{[4-(2-hydroxyethyl)phenyl]amino}-5-nitroanthra-9,10-quinone;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H16N2O7",
"molecular_weight": "420.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5360487",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01833",
"RC02454",
"RC03075"
]
},
{
"compound_ID": "D0829",
"name": "c.i. solvent yellow 14",
"synonyms": "Sudan I; 842-07-9; Solvent Yellow 14; 1-Phenylazo-2-naphthol; C.I. Solvent Yellow 14; 1-(Phenylazo)-2-naphthalenol; Grasal Orange; Spirit Orange; Fast Orange; Oil Orange; Fast Oil Orange; Soudan I; Dunkelgelb; Pyronalorange; Carminaph; Fettorange lg; Cerotinorange G; Organol Orange; Stearix Orange; Fettorange R; Motiorange R; Scharlach B; Calcogas M; Orange Pel; Fettorange 4a; SUDAN 1; Grasan Orange R; Petrol Orange Y; Sansel Orange G; Spirit Yellow I; Toyo Oil Orange; Ceres Orange R; Enial Orange I; Oleal Orange R; Sudan Orange R; Sudan Orange RA; Atul Orange R; Resinol Orange R; Somalia Orange I; Fat Orange G; Fat Orange I; Fat Orange R; Oil Orange E; Oil Orange R; Sudan J; Fat Orange RS; Oil Orange EP; Hidaco Oil Orange; Oil Orange PEL; Resoform Orange G; Waxoline Yellow I; Fat Orange 4A; Lacquer Orange VG; Oil Orange 2B; Waxakol Orange GL; Fat Soluble Orange; Oil Soluble Orange; Orange A L'Huile; Calcogas Orange NC; Silotras Orange TR; Waxoline Yellow IM; Waxoline Yellow IP; Waxoline Yellow IS; 2-Naphthalenol, 1-(phenylazo)-; Fast Oil Orange I; 2-Naphtholazobenzene; Oil Orange 31; Dispersol Yellow PP; Orange Insoluble Olg; Oil Orange R-14; Tertrogras Orange SV; Sudan Orange RA New; Oil Orange 2311; Orange R Fat Soluble; Brasilazina Oil Orange; Campbelline Oil Orange; Morton Orange Y; Orient Oil Orange PS; 1-Benzoazo-2-naphthol; Benzeneazo-beta-naphthol; Brilliant Oil Orange R; Plastoresin Orange F4A; Orange Resenole No. 3; Oil Orange 7078-V; Oil Orange Z-7078; Orange 2 Insoluble; Solvent Yellow No. 14; Calco Oil Orange 7078; Orange Soluble A L'Huile; Benzene-1-azo-2-naphthol; Disperse Yellow 97; Calco Oil Orange 7078-Y; Calco Oil Orange Z-7078; Fettorange IG; Orange 3RA Soluble in Grease; 2-Naphthol, 1-(phenylazo)-; 2-Hydroxynaphthyl-1-azobenzene; 1-Benzeneazo-2-naphthol; Oil Orange PS; 1-Phenylazo-beta-naphthol; Orange Resenole 3; 2-Hydroxy-1-phenylazonaphthalene; NCI-C53929; C.I. 12055; Zlut rozpoustedlova 14; CI 12055; Scarlet B; 1-(phenyldiazenyl)naphthalen-2-ol; 1-(Phenylazo)-2-naphthol; C.I. Disperse Yellow 97; UNII-48I7IBB68J; alpha-Phenylazo-beta-naphthol; CCRIS 174; Zlut rozpoustedlova 14 [Czech]; C16H12N2O; HSDB 4132; C.I Solvent yellow 14; EINECS 212-668-2; NSC 11227; NSC 51524; Benzeneazo-.beta.-naphthol; BRN 0651992; 2-Naphthalenol, 1-(2-phenyldiazenyl)-; 1-Phenylazo-.beta.-naphthol; C. I. Solvent Yellow 14; 48I7IBB68J; CHEBI:30958; Sudan I, pure; 1-[(E)-Phenyldiazenyl]-2-naphthol; DSSTox_CID_1135; DSSTox_RID_75966; DSSTox_GSID_21135; WLN: L66J BNUNR& CQ; CAS-842-07-9; Sudangelb; f at orange rs; spirit yello w i; waxoline yellow i p; campbelline oil orange; Waxoline Orange EP-FW; plastoresin orange f4a; benzeneazo-beta -naphthol; 1-:phenylazo-2-naphthol; SCHEMBL51451; Sudan I, analytical standard; 4-16-00-00228 (Beilstein Handbook Reference); KSC244C9T; SCHEMBL333149; 2-Naphthalenol, (phenylazo)-; orange 3RA soluble in grease; 1-[phenyldiazenyl]-2-naphthol; 2-Naphthalenol, 1-(phenylazo); CHEMBL1397023; DTXSID4021135; SCHEMBL11876526; SCHEMBL11876532; 1-(2-Hydroxynaphthyl)azobenzene; CTK1E4199; KS-00000YDE; DTXSID50873448; DTXSID90873447; MRQIXHXHHPWVIL-ISLYRVAYSA-N; Sudan I, Dye content >=95 %; ZONYAPYTDIVJGG-VLGSPTGOSA-N; 1-(Phenyldiazenyl)-2-naphthol #; .alpha.-Phenylazo-.beta.-naphthol; Sudan I (C.I. 12055); 1-(Phenylazo)-2-hydroxynaphthalene; HY-D0024; NSC11227; NSC51524; ZINC3860848; Tox21_200511; Tox21_300297; 1-[(E)-Phenylazo]naphthalene-2-ol; MFCD00003911; NSC-11227; NSC-51524; s6191; SBB056854; ZINC12405012; 1,2-naphthoquinone-1-phenylhydrazone; AKOS003581973; AKOS028109814; ZINC100048806; 1,2-Naphthalenedione 1-phenylhydrazone; 1-[(Phenyliminio)amino]-2-naphtholate; CS-5362; LS-1842; MCULE-6905364944; RTR-026066; (E)-1-(phenyldiazenyl)naphthalen-2-ol; 1-[(E)-phenyldiazenyl]naphthalen-2-ol; 1-[(Z)-Phenyldiazenyl]naphthalen-2-ol; NCGC00164031-01; NCGC00164031-02; NCGC00164031-03; NCGC00254059-01; NCGC00258065-01; AK175994; NCI60_000270; NCI60_004248; ST029273; T836; 1,2-Naphthalenedione, 1-(phenylhydrazone); 1-(Phenyldiazenyl)naphthalen-2-ol, >95%; AB0018960; TR-026066; 1-[(1E)-2-Phenyldiazenyl]-2-naphthalenol; FT-0674689; P0585; J3.602.610C; C19525; Q901018; (1Z)-1-(2-Phenylhydrazono)naphthalene-2(1H)-one; (E)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate; 1-[(Z)-2-Phenylhydrazin-1-ylidene]naphthalen-2(1H)-one; 40339-35-3; 52882-77-6; 71351-99-0;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C16H12N2O",
"molecular_weight": "248.28",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13297",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01834",
"RC02455",
"RC03076"
]
},
{
"compound_ID": "D0830",
"name": "calcifediol",
"synonyms": "Calcifediol; Calcidiol; 25-hydroxyvitamin D3; 25-Hydroxycholecalciferol; Hidroferol; 19356-17-3; Calcifediol anhydrous; Didrogyl; 25-Hydroxyvitamin D; Calderol; Calcifediolum; Rayaldee; Ro 8-8892; 5,6-cis-25-Hydroxyvitamin D3; Cholecalciferol, 25-hydroxy-; UNII-T0WXW8F54E; (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol; Dedrogyl; T0WXW8F54E; CHEBI:17933; 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL; NCGC00161326-04; Calcifidiol; Delakmin; 25-Hydroxy vitamin D3; (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol; 63283-36-3; (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol; U-32070E; 25-hydroxyvitamin D3 / 25-hydroxycholecalciferol / calcidiol; 25-Hydroxycholescalciferol; 9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol; Calcifediolum [INN-Latin]; Rovimix Hy-D; Calcifediol [INN]; (3b,5Z,7E)- 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol; Hy-D; 25-Hydroxycholecalciferol monohydrate; (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol; 36149-00-5; 25-(OH)Vitamin D3; 5,6-trans-25-Hydroxycholescalciferol; Ryaldee; BML2-E02; (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol; MFCD00867077; 25(OH)D3; EINECS 242-990-9; PubChem18824; U 32070E; (5Z,7E)-9,10-Seco-5,7,10(19)-cholestatrien-3beta,25-diol; 5,6-trans-9,10-Seco-5,7,10(19)-cholestatrien-3beta,25-diol; Spectrum5_001931; DSSTox_CID_2721; 25-hydroxy-cholecalciferol; Vitamin D, 25-hydroxy-; SCHEMBL3296; CHEMBL1040; DSSTox_RID_76699; Calcidiol;Didrogyl;Hidroferol; DSSTox_GSID_22721; BSPBio_001411; (3S,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol; GTPL6921; DTXSID0022721; CHEBI:94743; JWUBBDSIWDLEOM-DTOXIADCSA-N; BCPP000306; DM100; HMS1361G13; HMS1791G13; HMS1989G13; HMS2089L21; HMS3402G13; ACT06833; ZINC4474414; Tox21_111987; (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol; 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3beta,5Z,7E)-; LMST03020246; s1469; AKOS015965097; BCP9000472; CS-0800; DB00146; IDI1_033881; NCGC00161326-01; HY-32351; AB2000120; CAS-19356-17-3; ST2407990; 25-Hydroxycholecalciferol, >=98% (HPLC); C01561; W-5159; AB01275461-01; AB01275461_02; 356C173; Q139307; SR-05000001468; SR-05000001468-1; W-201718; 25-Hydroxyvitamin D3 monohydrate, >=99.0% (HPLC); 9,10-Secocholesta-5,7,10(19)-triene-3b,25-diol; BRD-K77175907-001-01-5; B91135EC-8937-4D8B-A533-CCD82F33C1B0; Calcifediol, European Pharmacopoeia (EP) Reference Standard; (5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol; 25-Hydroxyvitamin D3 solution, 100 mug/mL in ethanol, 98% (CP); 25-Hydroxyvitamin D3 solution, 5 mug/mL in ethanol, 98% (CP); 25-Hydroxyvitamin D3 solution, 50 mug/mL in ethanol, 98% (CP); Calcifediol, United States Pharmacopeia (USP) Reference Standard; (3S,5Z,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-3,25-diol; 9,10-Secocholesta-5,7,10(19)-triene-1,25-diol, (3.beta,.5Z,7E)-; (?R,1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-?,?,?,7a-tetramethyl-1H-indene-1-pentanol; (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol; (S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol; (S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol; 25-Hydroxyvitamin D3 solution, 100 mug/mL in ethanol, ampule of 1 mL, certified reference material; 25-Hydroxyvitamin D3 solution, 5 mug/mL in ethanol, ampule of 1 mL, certified reference material; 64719-49-9;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C27H44O2",
"molecular_weight": "400.6",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "288 hours",
"absorption": "Readily absorbed.",
"cid": "5283731",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A11CC06",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01835",
"RC02456",
"RC03077"
]
},
{
"compound_ID": "D0831",
"name": "calcipotriene",
"synonyms": "Calcipotriol; calcipotriene; Dovonex; Daivonex; Psorcutan; Sorilux; 112965-21-6; MC 903; MC-903; UNII-143NQ3779B; CHEBI:50749; Calcipotriene [USAN]; Calcipotriol hydrate; 143NQ3779B; Calcipotriene (USAN); NCGC00167465-01; Calciptriol; 112828-00-9; DSSTox_CID_26648; DSSTox_RID_81793; DSSTox_GSID_46648; CCRIS 7700; Calcitrene; Divonex; (22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3 / (22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrocholecalciferol / Calcipotriol; (5Z,7E,22E)-(1S,3R,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol; SMR000466353; Dovonex (TN); CAS-112965-21-6; SR-01000762910; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; MFCD10567086; (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol; CPD000466353; PRI 2201; Calcipotriol (JAN); Calcipotriol [INN]; BMS-181161; PubChem18810; PubChem19334; Epitope ID:114242; SCHEMBL2853; MLS000759467; MLS001424130; GTPL2778; CHEMBL1200666; DTXSID0046648; 1s19; LWQQLNNNIPYSNX-UROSTWAQSA-N; HMS2051N11; HMS2089J08; HMS3269P03; HMS3413D04; HMS3677D04; HMS3713K08; MC903; 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E,24S)-; PRI-2201; ZINC3921872; Tox21_112469; BDBM50369964; LMST03020106; s3739; AKOS015855239; Tox21_112469_1; CCG-100949; CS-0387; DB02300; NC00199; STF-115469; NCGC00167465-02; AS-56390; HY-10001; O763; D01125; U-0267; W-5148; 24207-EP2275420A1; 24207-EP2295055A2; 24207-EP2295416A2; 24207-EP2298748A2; 24207-EP2298764A1; 24207-EP2298765A1; 24207-EP2305640A2; 24207-EP2305642A2; 24207-EP2308861A1; 24207-EP2311453A1; 24207-EP2314590A1; AB00698343-05; 828C009; Q155683; SR-01000762910-3; SR-01000762910-4; (1?,3?,5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol; (1S,3R,5Z,7E,14beta,17alpha,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol; (1S,5Z,7Z,17ALPHA,22E)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10,22-TETRAENE-1,3,24-TRIOL; 1-ALPHA,24S-(OH)2-22-ENE-26,27-DEHYDROVITAMIN D3; (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol hydrate; (5Z,7E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10(19),22-tetraene-1alpha,3beta,24-triol;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C27H40O3",
"molecular_weight": "412.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5288783",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01836",
"RC02457",
"RC03078"
]
},
{
"compound_ID": "D0832",
"name": "calcitriol",
"synonyms": "calcitriol; Rocaltrol; 32222-06-3; Calcijex; Topitriol; 1alpha,25-Dihydroxyvitamin D3; Silkis; Soltriol; 1alpha,25-Dihydroxycholecalciferol; Dihydroxyvitamin D3; 1,25-DHCC; 1,25-Dihydroxyvitamin D; Calcitriolum; 1,25-DIHYDROXYCHOLECALCIFEROL; Vectical; 1,25-Dihydroxyvitamin D3; 1alpha,25-Dihydroxyvitamin D; 1-alpha,25-Dihydroxyvitamin D3; Calcitriolum [INN-Latin]; UNII-FXC9231JVH; 1alpha,25(OH)2D3; DN-101; 1,25-Dihydroxycholecaliferol; CCRIS 5522; Ro 21-5535; HSDB 3482; 1-alpha,25-Dihydroxycholecalciferol; EINECS 250-963-8; DN 101; CHEMBL846; Ro 215535; (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol; FXC9231JVH; 1,25-(OH)2D3; 1,25-(OH)2-D3; 1a,25-Dihydroxycholecalciferol; CHEBI:17823; 1-alpha-25-dihydroxyvitamin D3; vit D; U 49562; Cholecalciferol, 1-alpha,25-dihydroxy-; NCGC00161327-04; Ro-21-5535; 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatriene-1alpha,3beta,25-triol; (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol; (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol; 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1alpha,3beta,5Z,7E)-; 1,25-dihydroxy vitamin D3; Toptriol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; Decostriol; MC1288; (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol; (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol; MC-1288; 1alpha,25-dihydroxyvitamin D3 / 1alpha,25-dihydroxycholecalciferol / calcitriol; Calcitriol (Rocaltrol); SMR000466393; 1,25 (OH)2 D3; dihydroxy-vitamin D3; Asentar; Panbonis; 1,25 Dihydroxycholecalciferol; 1.alpha.,25-dihydroxycholecalciferol; 1 alpha,25-Dihydroxyvitamin D3; 1alpha 25-dihydroxycholecalciferol; Calcitriol [USAN:INN:BAN:JAN]; Rocaltrol (TN); (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol; 1,25(OH)2-20epi-D3; 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL; CPD000466393; 1,25-dihydroxy-20-epi-Vitamin D3; Vitamin D3, 1alpha, 25-Dihydroxy-; Calcitriol [USAN:USP:INN:BAN:JAN]; Calcitriol-(Rocaltrol); PubChem18818; PubChem19327; 1db1; 20-epi-1alpha,25-dihydroxycholecaliferol; Spectrum5_002061; DSSTox_CID_2722; Synthetic vitamin D analog; 25-dihydroxycholecalciferol; SCHEMBL3245; DSSTox_RID_76700; 1a,25-Dihydroxyvitamin D3; 1alpha,25(OH)2-D3; DSSTox_GSID_22722; BSPBio_001287; Calcitriol (JAN/USP/INN); MLS000759536; MLS001424122; 1|A,25-Dihydroxyvitamin D3; BML2-E03; GTPL2779; (1S,3R,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; DTXSID5022722; BCBcMAP01_000160; CHEBI:93988; GMRQFYUYWCNGIN-NKMMMXOESA-N; ZX-AFC000310; BCPP000304; HMS1361A09; HMS1791A09; HMS1989A09; HMS2051F06; HMS2089N03; HMS2232D18; HMS3402A09; (1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol; ACT06832; 1,25 DIHYDROXY VITAMIN D3; 1a,25-(OH)2D3; Tox21_111988; BDBM50200182; LMST03020258; MFCD00867079; NSC749776; s1466; 1-alpha,-1,25-Dihydroxyvitamin D3; (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1-alpha,3-beta,25-triol; AKOS015961898; ZINC100015048; AC-1859; BCP9000474; CCG-101001; CD-2027; CS-0388; DB00136; NC00251; NSC-749776; Ro-215535; 1,25(OH2)D3; IDI1_033757; 1,25(OH)2D3 & CD4; NCGC00161327-01; 1.alpha.,25-Dihydroxyvitamin D(sub 3); HY-10002; LS-53093; RO215535; SC-17020; CAS-32222-06-3; 1,25D3; C01673; D00129; W-5161; 62019-EP2292592A1; 62019-EP2298772A1; 62019-EP2308828A2; 62019-EP2308839A1; AB00639957-06; AB00639957_07; 1alpha,25-Dihydroxyvitamin D3, >=99% (HPLC); 222C063; Q139195; SR-01000759361; SR-01000946978; 1alpha,25-Dihydroxyvitamin D3, >=97.0% (HPLC); SR-01000759361-4; SR-01000946978-1; 1.Alpha.,25-Dihydroxy-26,27-hexadeuterovitamin D3; BRD-K27316855-001-06-7; BRD-K27316855-001-19-0; (3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trienetriol; Calcitriol, European Pharmacopoeia (EP) Reference Standard; (1?,3?,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol; (5Z,10-secocholesta-5,7,10(19)-triene-1.alpha.,3.beta.,25-triol; 9,10-seco(5Z,7E)-5,7,10(19)-cholestatriene-1alpha, 3beta, 25-triol; (1S,3R,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol; 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta,.5Z,7E)-; 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta,.5Z,7E)- & CD4; (1R,3S)-5-{2-[(1R,3aS,7aR)-1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol; (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C27H44O3",
"molecular_weight": "416.6",
"state": "solid",
"clearance": "The metabolic clearance rate was 23.5±4.34 ml/min in healthy male volunteers and 10.1±1.35 ml/min in male patients with uraemia [A175726]. In the pediatric patients undergoing peritoneal dialysis receiving dose of 10.2 ng/kg (SD 5.5 ng/kg) for 2 months, the clearance rate was 15.3 mL/hr/kg [FDA Label].",
"volume_of_distribution": "Upon intravenous administration, the volume of distribution of calcitriol was 0.49±0.14 L/kg in healthy male volunteers and 0.27±0.06 l/kg in uraemic male patients participating in a pharmacokinetic study [A175726]. There is some evidence that calcitriol is transferred into human milk at low levels (ie, 2.2±0.1 pg/mL) in mothers [FDA Label]. Calcitriol from maternal circulation may also enter the fetal circulation [FDA Label].",
"route_of_elimination": "In normal subjects, approximately 27% and 7% of the radioactivity appeared in the feces and urine, respectively, within 24 hours [FDA Label]. Calcitriol undergoes enterohepatic recycling and biliary excretion. The metabolites of calcitriol are excreted primarily in feces. Cumulative excretion of radioactivity on the sixth day following intravenous administration of radiolabeled calcitriol averaged 16% in urine and 49% in feces [FDA Label].",
"protein_binding": "Calcitriol is approximately 99.9% bound in blood, mostly by an alpha-globulin vitamin D binding protein [FDA Label].",
"half_life": "After administration of single oral doses, the elimination half life was 5-8 hours [FDA Label].",
"absorption": "Upon administration, calcitriol is rapidly absorbed from the intestines. When a single oral dose of 0.5 mcg of calcitriol was administered, the mean serum concentrations of calcitriol rose from a baseline value of 40.0±4.4 (SD) pg/mL to 60.0±4.4 pg/mL at 2 hours, and declined to 53.0±6.9 at 4 hours, 50±7.0 at 8 hours, 44±4.6 at 12 hours and 41.5±5.1 at 24 hours [FDA Label]. Following administration of single doses of 0.25 to 1.0 mcg of calcitriol, the peak plasma concentrations were reached within 3 to 6 hours [FDA Label]. In a pharmacokinetic study, the oral bioavailability was 70.6±5.8% in healthy male volunteers and 72.2±4.8% in male patients with uraemia [A175726].",
"cid": "5280453",
"classification": "D; A",
"indications": "",
"side_effects": "",
"atc_codes": "D05AX03; A11CC04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01837",
"RC02458",
"RC03079"
]
},
{
"compound_ID": "D0833",
"name": "candesartan cilexetil",
"synonyms": "Candesartan cilexetil; 145040-37-5; Atacand; TCV-116; Amias; Parapres; Kenzen; TCV 116; CANDESARTAN CILEXTIL; candesartancilexetil; Candesartan cilexetil [USAN]; CHEMBL1014; CHEBI:3348; TCY 116; C33H34N6O6; AK-75900; 1H-Benzimidazolium, 7-carboxy-1-(2-((cyclohexylcarbonyl)oxy)ethyl)-2-ethoxy-1-(2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)-, hydroxide, inner salt, (+-)-; 2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester; (+-)-1-Hydroxyethyl 2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylate, cyclohexyl carbonate (ester); 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate; 1-(cyclohexyloxycarbonyloxy)ethyl 1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate; 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-benzimidazole-7-carboxylate; 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 2-(ethyloxy)-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate; 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester, (+-)-; 2-ETHOXY-1-[[2'-(2H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID 1-[[(CYCLOHEXYLOXY)CARBONYL]OXY]ETHYL ESTER; Racanda; Candesartan hexetil; 1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate; 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate; Atacand (TN); candesartan cilexitil; Spectrum_001707; Candesartan (Cilexetil); DSSTox_CID_239; Spectrum2_000485; Spectrum3_000996; Spectrum4_001124; Spectrum5_001462; DSSTox_RID_85567; Candesartan-cilexetil-Atacand; DSSTox_GSID_20239; SCHEMBL40831; BSPBio_002691; KBioGR_001607; KBioSS_002187; 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate; MLS004774127; SPECTRUM1504261; SPBio_000349; GTPL8352; Candesartan cilexetil (Atacand); DTXSID5020239; KBio2_002187; KBio2_004755; KBio2_007323; KBio3_001911; KS-00000IVU; EBD4212; GHOSNRCGJFBJIB-UHFFFAOYSA-N; HMS1922J09; HMS2093E20; HMS3651I08; Pharmakon1600-01504261; BCP22050; Candesartan cilexetil (JP17/USAN); Tox21_302202; AC-204; BDBM50318907; BG0573; CCG-39530; MFCD00871371; NSC758697; s2037; STL451065; AKOS015894954; AKOS015920180; AB07617; AM90293; BCP9000480; CCG-222334; CS-2893; DB00796; DS-1302; KS-1147; NSC-758697; VA10473; Candesartan cilexetil, >=98% (HPLC); NCGC00095123-01; NCGC00095123-02; NCGC00095123-03; NCGC00255218-01; 1-(cyclohexylocarbonyloxy)ethyl-2-ethoxy-1-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)-1H-benzimidazole-7-carboxylate; BR-75900; HY-17505; LS-32741; SC-12740; SMR003500784; SBI-0206767.P001; AB0012012; AB2000442; 4CH-009595; C-265; CAS-145040-37-5; FT-0082579; FT-0602914; ST24030238; SW220041-1; A-2005; C07709; D00626; J10436; AB01274805-01; AB01274805_02; AB01274805_03; 040C375; H212/91; L006257; SR-05000001976; Atacand;Amias;Blopress;Ratacand;TCV 116;TCY 116; Camptothecine, Antibiotic for Culture Media Use Only; Q-200786; SR-05000001976-1; BRD-A65671304-001-02-6; BRD-A65671304-001-03-4; Q27075664; Candesartan cilexetil, European Pharmacopoeia (EP) Reference Standard; Candesartan cilexetil, United States Pharmacopeia (USP) Reference Standard; Candesartan cilexetil for peak identification, European Pharmacopoeia (EP) Reference Standard; Candesartan cilexetil for system suitability, European Pharmacopoeia (EP) Reference Standard; Candesartan Cilexetil, Pharmaceutical Secondary Standard; Certified Reference Material; (+/-)-1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-[2'-(1H-tetrazol-5-yl) biphenyl-4-yl]methylbenzimidazole-7-carboxylate; (+/-)-1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7-carboxylate; 1-(((cyclohexyloxy)carbonyl)oxy)ethyl 1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate; 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethox; 1-(Cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate; 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate; 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl] methyl]benzimidazole-4-carboxylate; 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate.; 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester, ( -)-; 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester; 2-Ethoxy-1-[2'-(1H-tetrazole-5-yl)-4-biphenylylmethyl]-1H-benzimidazole-7-carboxylic acid 1-(cyclohexyloxycarbonyloxy)ethyl ester; 2-Ethoxy-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester; 2-Ethoxy-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester; 2-ethoxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-benzoimidazole-4-carboxylic acid 1-cyclohe;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C33H34N6O6",
"molecular_weight": "610.7",
"state": "solid",
"clearance": "* 0.37 mL/min/kg",
"volume_of_distribution": "* 0.13 L/kg",
"route_of_elimination": "When candesartan is administered orally, about 26% of the dose is excreted unchanged in urine. Candesartan is mainly excreted unchanged in urine and feces (via bile).",
"protein_binding": "Candesartan is highly bound to plasma proteins (>99%) and does not penetrate red blood cells.",
"half_life": "Approximately 9 hours.",
"absorption": "Following administration of the candesartan cilexetil prodrug, the absolute bioavailability of candesartan was estimated to be 15%. Food with a high fat content has no effect on the bioavailability of candesartan from candesartan cilexetil.",
"cid": "2540",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01838",
"RC02459",
"RC03080"
]
},
{
"compound_ID": "D0834",
"name": "cannabinol",
"synonyms": "cannabinol; 521-35-7; Cannabinolo [DCIT]; Cannabinolum [INN-Latin]; Cannabinol [INN:BAN]; UNII-7UYP6MC9GH; 6H-Dibenzo(b,d)pyran-1-ol, 6,6,9-trimethyl-3-pentyl-; NSC 134455; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol; 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran; 7UYP6MC9GH; BRN 0237145; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol; CHEMBL74415; CHEBI:3360; 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol; VBGLYOIFKLUMQG-UHFFFAOYSA-N; NSC-134455; 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran; 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-; NCGC00168261-01; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol; Cannabinolo; Cannabinolum; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol. Product derived from Cannabis sativa; Cannabinol (6CI); DSSTox_CID_28922; DSSTox_RID_83188; DSSTox_GSID_48996; GTPL740; 5-17-04-00567 (Beilstein Handbook Reference); DivK1c_000972; SCHEMBL121085; Cannabinol, analytical standard; DTXSID3048996; HMS503C05; KBio1_000972; NINDS_000972; Cannabinol 1.0 mg/ml in Methanol; ZINC1530833; Tox21_113486; BDBM50061117; LMPK13120002; NSC134455; AKOS024457448; DB14737; IDI1_000972; CAS-521-35-7; LS-61184; 6H-Dibenzo[b, 6,6,9-trimethyl-3-pentyl-; FT-0664223; Cannabinol (CBN) 100 microg/mL in Methanol; C07580; Cannabinol (CBN) 1000 microg/mL in Methanol; L000158; Q265831; WLN: T B666 HO IHJ CQ E5 I1 I1 M1; 6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol; 3-Amyl-1-hydroxy-6,9-trimethyl-6H-dibenzo[b,d]pyran; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol #; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol(Cannabinol); 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol (Cannabinol); 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl- (7CI,8CI,9CI); Cannabinol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Cannabinol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H26O2",
"molecular_weight": "310.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2543",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01839",
"RC02460",
"RC03081"
]
},
{
"compound_ID": "D0835",
"name": "cantharidin",
"synonyms": "cantharidin; 56-25-7; CANTHARIDINE; Cantharone; Kantaridin; Kantharidin; Cantharides camphor; 1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride; Kantharidin [German]; Caswell No. 157; UNII-IGL471WQ8P; NSC61805; CCRIS 635; exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride; Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione; BRN 0085302; AI3-04021; HSDB 2181; (3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione; EINECS 200-263-3; NSC 61805; EPA Pesticide Chemical Code 013101; IGL471WQ8P; CHEMBL48449; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-; CHEBI:64213; 7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran; DHZBEENLJMYSHQ-XCVPVQRUSA-N; CAN [Alkaloid]; MFCD00134968; NSC-61805; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aalpha,4beta,7beta,7aalpha)-; 3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-; 2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride; 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-; (1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride; Hexahydro-3aalpha,7aalpha-dimethyl-4beta,7beta-epoxyisobenzofuran-1,3-dione; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha); Cantharides; (3a?,4?,7?,7a?)-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione; CAS-56-25-7; NCGC00016247-01; PubChem6009; Prestwick3_000885; 2,3-dicarboxylic anhydride; NCIMech_000301; BSPBio_000670; 5-19-05-00051 (Beilstein Handbook Reference); SCHEMBL152262; BPBio1_000738; Cantharides camphor, Cantharone; cid_6708701; CTK8E0309; HMS2097B12; HMS3412J13; HMS3676J13; 1,6-epoxyperhydrophthalic anhydride; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-; ACT03236; BCP09819; HY-N0209; BDBM50090505; CCG-35382; CCG-36082; ZINC17611186; AKOS015895930; AC-7967; API0001832; CS-4979; DB12328; FCH3878399; 4,3-dione, hexahydro-3a,7a-dimethyl-; exo-1,6-epoxyhexahydrophthalic anhydride; NCGC00025212-02; NCGC00025212-03; NCGC00025212-04; NCGC00025212-05; AS-18735; LS-98756; NCI60_005413; SC-05366; WLN: T C555 A AO DVOVTJ C1 G1; AB00513946; Hexahydro-3a,7-epoxyisobenzofuran-1,3-dione; X1105; C16778; 7-Oxabicyclo[2.2.1]heptane-2, 2,3-dimethyl-; 134C968; Q410884; SR-01000597585; SR-01000597585-1; BRD-K80684056-001-01-0; (3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione; (1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1S,2R,6S,7R)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1S,3S,4R,7R)-2,6-dimethyl-4,10-dioxa-tricyclo[5.2.1.0-2,6]decane-3,5-dione; 4,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H12O4",
"molecular_weight": "196.2",
"state": "",
"clearance": "Little pharmacodynamic and pharmacokinetic data regarding cantharidin in the human body currently exists; recruitment for First-Time-In-Human clinical trials regarding such information have been ongoing in 2018 [L2647]. There are however some studies regarding such data in animal models like beagle dogs [A32901].",
"volume_of_distribution": "After oral or IP injection of (3)H-labeled cantharidin, high levels of radioactivity distributed to and were exhibited in the bile, kidney, liver, stomach, and tumor cells of ascites hepatoma-bearing mice [L2648]. Such distribution suggests the agent has an affinity for liver and tumor tissues [L2648].\n\nLittle pharmacodynamic and pharmacokinetic data regarding cantharidin in the human body currently exists; recruitment for First-Time-In-Human clinical trials regarding such information have been ongoing in 2018 [L2647]. There are however some studies regarding such data in animal models like beagle dogs [A32901].",
"route_of_elimination": "It has been observed that absorbed cantharidin is excreted by the kidney [L2648].\n\nLittle pharmacodynamic and pharmacokinetic data regarding cantharidin in the human body currently exists; recruitment for First-Time-In-Human clinical trials regarding such information have been ongoing in 2018 [L2647]. There are however some studies regarding such data in animal models like beagle dogs [A32901].",
"protein_binding": "Little pharmacodynamic and pharmacokinetic data regarding cantharidin in the human body currently exists; recruitment for First-Time-In-Human clinical trials regarding such information have been ongoing in 2018 [L2647]. There are however some studies regarding such data in animal models like beagle dogs [A32901].",
"half_life": "Little pharmacodynamic and pharmacokinetic data regarding cantharidin in the human body currently exists; recruitment for First-Time-In-Human clinical trials regarding such information have been ongoing in 2018 [L2647]. There are however some studies regarding such data in animal models like beagle dogs [A32901].",
"absorption": "Cantharidin is absorbed from the gastrointestinal tract, and, to a limited extent from the skin as well [L2648].\n\nLittle pharmacodynamic and pharmacokinetic data regarding cantharidin in the human body currently exists; recruitment for First-Time-In-Human clinical trials regarding such information have been ongoing in 2018 [L2647]. There are however some studies regarding such data in animal models like beagle dogs [A32901].",
"cid": "5944",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01840",
"RC02461",
"RC03082"
]
},
{
"compound_ID": "D0836",
"name": "carminomycin",
"synonyms": "Carminomycin; Carubicin; 39472-31-6; Carminomycin I; KARMINOMYCIN; O-Demethyldaunomycin; Carminomicin I; CCRIS 961; CHEBI:31359; UNII-E7437K3983; 50935-04-1; DSSTox_CID_2742; DSSTox_RID_76711; DSSTox_GSID_22742; Karminomitsin; NCGC00159344-02; Carubicin [INN]; Carubicine [INN-French]; Carubicinum [INN-Latin]; E7437K3983; Carubicina [INN-Spanish]; NSC-180024; CCRIS 6185; Carubicina; Carubicine; Carubicinum; C26H27NO10; (1S,3S)-3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione; CAS-50935-04-1; NCGC00160675-01; (1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-tridesoxy-alpha-L-lyxo-hexopyranosid; Carminomycin; Carubicin; SCHEMBL9552; CHEMBL474260; DTXSID3022742; 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8S-cis)-; EX-A2244; ZINC4654755; Tox21_111589; Tox21_111978; BDBM50103635; MCULE-8337547015; B5825; FT-0664386; V1723; C12432; Carminomycin, O-Demethyldaunomycin, CCRIS 961; 935C041; Q5047474; 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8S,10S)-; Carminomycin I|||(8S,10S)-8-acetyl-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,6,8,11-tetrahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C26H27NO10",
"molecular_weight": "513.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "443831",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01842",
"RC02463",
"RC03084"
]
},
{
"compound_ID": "D0837",
"name": "chlorendic anhydride",
"synonyms": "CHLORENDIC ANHYDRIDE; 115-27-5; HET anhydride; Chloran 542; 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic anhydride; 4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione; 4,7-Methanoisobenzofuran-1,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-; Chlorendic anhydride (VAN); NSC 22229; Hexachloroendomethylene tetrahydrophthalic anhydride; Hexachloro-5-norbornene-2,3-dicarboxylic anhydride; HSDB 2920; EINECS 204-077-3; BRN 0092693; FLBJFXNAEMSXGL-UHFFFAOYSA-N; 5-Norbornene-2,3-dicarboxylic anhydride, 1,4,5,6,7,7-hexachloro-; 1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic anhydride; 1,4,5,6,7,7-Hexachloro-endo-5-norbornene-2,3-dicarboxylic anhydride; 1,4,5,6,7,7-Hexachloro-endo-bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic anhydride; 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid anhydride; Q-201193; 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride; 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid anhydride; 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione; NSC-22229; 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dione; Chlorendic acid anhydride; DSSTox_CID_6941; EC 204-077-3; DSSTox_RID_78263; DSSTox_GSID_26941; 4-17-00-06070 (Beilstein Handbook Reference); KSC509E6J; SCHEMBL108694; CHEMBL3183752; DTXSID2026941; CTK4A9264; FLBJFXNAEMSXGL-UHFFFAOYSA-; Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride, 1,4,5,6,7,7-hexachloro-; NSC22229; Tox21_200439; ANW-43507; IMED57209126; MFCD00080438; SBB056758; STL573382; AKOS008967309; MCULE-1652555199; 1,4,5,6,7,7-Hexachlorobicyclo [2.2.1]hept-5-ene-2,3-dicarboxylic anhydride; 4,7-Methanoisobenzofuran-1,3-dione,4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-; NCGC00248616-01; NCGC00257993-01; AK-95994; CAS-115-27-5; LS-97223; AB1008289; DB-060714; RT-000264; FT-0623600; ST50981589; 1,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic anhydride; 4,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-; 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic anhydride treated BSA; 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic anhydride treated bovine serum albumin; InChI=1/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H2Cl6O3",
"molecular_weight": "370.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8265",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01843",
"RC02464",
"RC03085"
]
},
{
"compound_ID": "D0838",
"name": "chlorfenapyr",
"synonyms": "Chlorfenapyr; 122453-73-0; Pirate; Kotetsu; Pylon; 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile; Pirate 3F; Chlorfenapyr [ISO]; AC 303630; CL 303630; UNII-NWI20P05EB; HSDB 7464; NWI20P05EB; 1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-; CHEBI:39347; CWFOCCVIPCEQCK-UHFFFAOYSA-N; 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile; C15H11BrClF3N2O; CCRIS 9252; PubChem2383; DSSTox_CID_12533; DSSTox_RID_78971; DSSTox_GSID_32533; SCHEMBL40337; CHEMBL1869551; DTXSID9032533; CTK8E8173; BCP10393; ZINC2381586; Tox21_301579; AKOS015895265; 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrol-3-carbonitrile; 4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile; Chlorfenapyr 100 microg/mL in Methanol; NCGC00163740-01; NCGC00255354-01; AK-47777; AS-15485; BC002286; CC-25654; Chlorfenapyr 10 microg/mL in Cyclohexane; P559; SC-00618; AX8120671; LS-136639; RT-011995; CAS-122453-73-0; FT-0602990; ST24043354; C18455; K-1667; Chlorfenapyr, PESTANAL(R), analytical standard; 453C730; A804893; C-21856; Q426475; J-004803; 4-bromanyl-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile; 4-Bromo-1-(ethoxymethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile; 4-Bromo-2- (p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile; 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-3-pyrrolecarbonitrile; 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3- carbonitrile/Chlorfenapyr; 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile #;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H11BrClF3N2O",
"molecular_weight": "407.61",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "91778",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01844",
"RC02465",
"RC03086"
]
},
{
"compound_ID": "D0839",
"name": "chlorfenethol",
"synonyms": "Chlorfenethol; 4,4'-Dichloro-alpha-methylbenzhydrol; 1,1-Bis(4-chlorophenyl)ethanol; 80-06-8; Dimit; Micasin; Mikazene; Quickron; Qikron; BCPE; DCPC; DCPE; DIMITE; Dichlorodiphenylethanol; BCPE (pesticide); 1,1-Bis(p-chorophenyl)ethanol; Di(p-chlorophenyl)ethanol; 1,1-Bis(p-chlorophenyl)ethanol; Bis(p-chlorophenyl)methylcarbinol; Bis(4-chlorophenyl)methylcarbinol; p,p'-Dichlorodiphenylmethylcarbinol; Caswell No. 310; ENT 9,624; 1,1-Bis(p-chlorophenyl)methylcarbinol; Chlorfenethol [ISO:BSI]; DCPC (VAN); DMC (VAN); NSC 2848; Di-(p-chlorophenyl)-ethanol; Ethanol, 1,1-bis(p-chlorophenyl)-; UNII-L0079FA965; Di(p-chlorophenyl) methylcarbinol; HSDB 1569; 1,1-Bis(4-chlorphenyl)-aethanol; Bis(p-chlorophenyl)methyl carbinol; 4,4'-Dichloro-(methyl benzhydrol); EINECS 201-246-3; 4,4'-Dichloro-alpha-methylbenzohydrol; EPA Pesticide Chemical Code 031101; BRN 2505345; Benzhydrol, 4,4'-dichloro-alpha-methyl-; AI3-09624; 1,1-Bis(4-chlorphenyl)-aethanol [German]; BPE; CHEBI:82154; Di(p-chlorophenyl)methyl carbinol; Benzenemethanol, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-methyl-; L0079FA965; 4,4'-Dichloro-.alpha.-methylbenzhydrol; 4,4'-Dichloro-.alpha.-methylbenzohydrol; 4-Chloro-alpha-(4-chlorophenyl)-alpha-methylbenzenemethanol; Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-methyl-; ACMC-1BK67; DSSTox_CID_20283; DSSTox_RID_79468; DSSTox_GSID_40283; SCHEMBL26402; WLN: GR DXQ1&R DG; 4,4'-Dichloromethylbenzhydrol; CHEMBL1522056; DTXSID7040283; Ethanol,1-bis(p-chlorophenyl)-; CTK8A8930; ZINC56497; NSC2848; URYAFVKLYSEINW-UHFFFAOYSA-N; NSC-2848; Tox21_301458; 1,1-bis(4-chlorophenyl)ethan-1-ol; ANW-13607; AKOS000120878; IMED104564437; Benzhydrol,4'-dichloro-.alpha.-methyl-; CAS-80-06-8; NCGC00166131-01; NCGC00255609-01; CC-17137; LS-32333; DB-056404; TC-102351; Benzhydrol, 4,4'-dichloro-.alpha.-methyl-; D2692; FT-0623602; ST50308335; C19023; Chlorfenethol, PESTANAL(R), analytical standard; C-16741; Q1920106; Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-methyl- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H12Cl2O",
"molecular_weight": "267.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6624",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01845",
"RC02466",
"RC03087"
]
},
{
"compound_ID": "D0840",
"name": "chlorfenson",
"synonyms": "Chlorfenson; Ovex; Difenson; Ester sulfonate; Benzolsulfonate; Chlorfensin; Chlorofenizon; Ephirsulphonate; Ethersulfonate; Niagaratran; Trichlorfenson; Corotran; Estonmite; Orochlor; Orthotran; Otracid; Ovatran; Ovochlor; Ovotran; Sappilan; Sappiran; Erysit; Mitran; Ovotox; Roztoczol fluid; CPCBS; Acaricydol E 20; Lethalaire G-58; Chloorfenson; Chlorofensone; Chlorobenzolsulfonate; Danicut; 80-33-1; ONEX; PCPCBS; Miticide K-101; Genite 883; Chlorfensonchlorofensone; Benzolsulfonat; Chlorefenizon; Chlorofenson; 4-CHLOROPHENYL 4-CHLOROBENZENESULFONATE; Chlorbenzolsulfonat; p-Chlorophenyl p-chlorobenzenesulfonate; Benzenesulfonic acid, 4-chloro-, 4-chlorophenyl ester; Chloorfenson [Dutch]; Caswell No. 624; Ovex [ANSI]; Chlorefenizon [French]; Trichlorfenson (Obs.); Ovatron; Chlorfenson [BSI:ISO]; UNII-LW65NJ3YWV; (4-chlorophenyl) 4-chlorobenzenesulfonate; C-854; D 854; K 6451; p-Chlorophenyl p-chlorobenzenesulphonate; 4-Chlorophenyl 4-chlorobenzenesulphonate; C 1,006; Dow K-6,451; p-Chlorobenzenesulfonic acid, p-chlorophenyl ester; (4-Cloro-fenil)-4-cloro-venzol-solfonato; HSDB 2055; Parachlorophenyl-parachlorobenzene-sulfonate; (4-Chlor-phenyl)-4-chlor-benzol-sulfonate; 4-Chlorobenzenesulfonate de 4-chlorophenyle; (4-Chloor-fenyl)-4-chloor-benzeen-sulfonaat; K-101; NSC 5618; EINECS 201-270-4; 4-Chlorphenyl-4'-chlorbenzolsulfonat; LW65NJ3YWV; ENT 16,358; ENT 16,538; EPA Pesticide Chemical Code 020201; BRN 2944674; Benzenesulfonic acid, p-chloro-, p-chlorophenyl ester; Parachlorophenyl parachlorobenzene sulfonate; AI3-16538; CCS; CHEBI:82155; 4-Chlorphenyl-4'-chlorbenzolsulfonat [German]; p-Chlorfenylester kyseliny p-chlorbenzensulfonove; 4-Chlorobenzenesulfonic acid, 4-chlorophenyl ester; 4-Chlorobenzenesulfonate de 4-chlorphenyle [French]; (4-Chloor-fenyl)-4-chloor-benzeen-sulfonaat [Dutch]; (4-Chlor-phenyl)-4-chlor-benzol-sulfonate [German]; (4-Cloro-fenil)-4-cloro-venzol-solfonato [Italian]; 4-Chlorobenzenesulfonate de 4-chlorophenyle [French]; p-Chlorfenylester kyseliny p-chlorbenzensulfonove [Czech]; p-Chlorophenyl-p-chlorobenzene sulfonate; DSSTox_CID_310; DSSTox_RID_75505; DSSTox_GSID_20310; CAS-80-33-1; 4-Chlorobenzenesulfonate de 4-chlorphenyle; WLN: GR DSWOR DG; 4-11-00-00109 (Beilstein Handbook Reference); SCHEMBL116752; CHEMBL499017; DTXSID5020310; CTK8F8591; RZXLPPRPEOUENN-UHFFFAOYSA-; NSC5618; RZXLPPRPEOUENN-UHFFFAOYSA-N; NSC-5618; ZINC1687057; Tox21_201263; Tox21_302742; Chlorfenson 10 microg/mL in Isooctane; DB05377; LS-7268; 4-Chlorophenyl-4-chlorobenzene sulfonate; NCGC00249010-01; NCGC00256598-01; NCGC00258815-01; C19024; Chlorfenson, PESTANAL(R), analytical standard; Benzenesulfonic acid, p-chloro-, p-chlorophenylester; Q2964122; Benzenesulfonic acid, p-chloro-, p-chlorophenyl ester (8CI); InChI=1/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H8Cl2O3S",
"molecular_weight": "303.2",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6635",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01846",
"RC02467",
"RC03088"
]
},
{
"compound_ID": "D0841",
"name": "chlorfluazuron",
"synonyms": "Chlorfluazuron; 71422-67-8; Atabron; Chlorfluazuron [ISO]; UNII-Q42JG8449K; CCRIS 2680; Cga-112913; IKI 7899; PP 145; CGA 112913; UC 62644; AI3-29785; CHEBI:39370; UISUNVFOGSJSKD-UHFFFAOYSA-N; Q42JG8449K; N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide; Benzamide, N-[[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluoro-; Benzamide, N-(((3,5-dichloro-4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)amino)carbonyl)-2,6-difluoro-; N-[(3,5-dichloro-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]-2,6-difluorobenzamide; C20H9Cl3F5N3O3; DSSTox_CID_21772; DSSTox_RID_79839; DSSTox_GSID_41772; SCHEMBL44257; CHEMBL2251411; DTXSID5041772; UISUNVFOGSJSKD-UHFFFAOYSA-; Chlorflurazurone (Chlorfluazurone); ZINC2516838; Tox21_301567; AKOS015896057; NCGC00255618-01; CC-25656; LS-26328; AX8001288; CAS-71422-67-8; Chlorfluazuron 10 microg/mL in Cyclohexane; DB-055523; TR-023497; FT-0085093; FT-0641348; C18426; 26898-EP2274983A1; 26898-EP2280009A1; 26898-EP2292608A1; 26898-EP2308857A1; 26898-EP2308858A1; 26898-EP2311816A1; 26898-EP2311817A1; 26898-EP2314583A1; 422C678; C-23149; Chlorfluazuron, PESTANAL(R), analytical standard; Q22807265; N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl; 1-[3,5-dichloro-4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenyl]-3-(2,6-difluorobenzoyl)urea; 1-{3,5-Dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yloxy]phenyl}-3-(2,6-difluorobenzoyl)urea; InChI=1/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33); N-(3,5-dichloro-4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenylcarbamoyl)-2,6-difluorobenzamide; Pesticide3_Chlorfluazuron_C20H9Cl3F5N3O3_Benzamide, N-[[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluoro-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H9Cl3F5N3O3",
"molecular_weight": "540.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "91708",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01847",
"RC02468",
"RC03089"
]
},
{
"compound_ID": "D0842",
"name": "chlorophacinone",
"synonyms": "CHLOROPHACINONE; 3691-35-8; Chlorphacinon; Liphadione; Redentin; Rozol; Ratindan 3; Orcomolebait; Microzul; Muriol; Partox; Ratomet; Saviac; Topitox; Afnor; Lepit; CAID; DRAT; Actosin C; Chloorfacinon; Chlorfacinon; Baraage; Razol; LM 91; Chloorfacinon [Dutch]; Chlorfacinon [German]; Caswell No. 211C; Chlorphacinon [Italian]; Chlorophacinone [BSI:ISO]; HSDB 6432; EINECS 223-003-0; EPA Pesticide Chemical Code 067707; BRN 2063081; 2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione; 2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione; 2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione; 2-[(4-chlorophenyl)phenylacetyl]-1h-indene-1,3(2h)-dione; 1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-; CHEBI:81796; 2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione; 2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione; 2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione; ((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion; 1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion; 2(2-(4-Cloro-fenil-2fenil)-acetil)indan-1,3-dione; 2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion; 2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione; Chlorphacinone; Chlorphenacone; ((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion [German]; 1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion [German]; 2-(alpha-p-Chlorophenyl-alpha-phenylacetyl)indane-1,3-dione; 2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion [German]; 2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione [Italian]; 2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion [Dutch]; Raticide-Caid; Chlorodiphacinone; 1,3-Indandione, 2-((p-chlorophenyl)phenylacetyl)-; 1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-; 1H-Indene-1,3(2H)-dione, 2-((4-chlorophenyl)phenylacetyl)-; Chlorophenacone; C23H15ClO3; Ramucide; Skaterpax; Raviac; Ranac; Sakarat special; 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione; Rozol Prairie Dog Bait; DSSTox_CID_12348; DSSTox_RID_78919; DSSTox_GSID_32348; SCHEMBL18961; 2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion; CHEMBL1874081; DTXSID2032348; CTK8E3593; UDHXJZHVNHGCEC-UHFFFAOYSA-N; BCP20502; Tox21_301565; AKOS015896099; ACM3691358; NCGC00163928-01; NCGC00255247-01; AC-19783; LS-81148; M174; SC-18654; CAS-3691-35-8; TR-015043; FT-0655394; C18514; Indandione, 2-((p-chlorophenyl)phenylacetyl)-; 691C358; A823450; Chlorophacinone, PESTANAL(R), analytical standard; Q413488; 2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dione; 2-[2-(4-chlorophenyl)-2-phenyl-ethanoyl]indene-1,3-dione; Indene-1,3(2H)-dione, 2-((4-chlorophenyl)phenylacetyl)-; 2-[(4-Chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione; 2-[2-(4-chlorophenyl)-1-oxo-2-phenylethyl]indene-1,3-dione; 2-(2-(4-Chlorophenyl)-2-phenylacetyl)-1H-indene-1,3(2H)-dione;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H15ClO3",
"molecular_weight": "374.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "19402",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01848",
"RC02469",
"RC03090"
]
},
{
"compound_ID": "D0843",
"name": "chloropropylate",
"synonyms": "CHLOROPROPYLATE; Chlorpropylate; 5836-10-2; Chlorpropylat; Rospine; Acaralate; Chlormite; Gesakur; Rospan; Rospin; Isopropyl 4,4'-dichlorobenzilate; Geigy 24163; Chlorpropylat [Czech]; Caswell No. 511B; UNII-GI03ROM7HQ; GI03ROM7HQ; ENT 26,999; Propyl p,p'-dichlorobenzilate; CHEBI:39411; HSDB 1732; Chloropropylate [ANSI:BSI:ISO]; Isopropyl-4,4'-dichlorobenzilate; Benzilic acid, 4,4'-dichloro-, isopropyl ester; 1-Methylethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate; EINECS 227-421-4; G 24,163; EPA Pesticide Chemical Code 026801; BRN 2757308; AI3-26999; Isopropylester kyseliny 4,4'-dichlorbenzilove; propan-2-yl bis(4-chlorophenyl)(hydroxy)acetate; Benzeneacetic acid, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-hydroxy-, 1-methylethyl ester; G 24163; Isopropyl 2-(4,4'-dichlorophenyl)-2-hydroxyacetate; Isopropylester kyseliny 4,4'-dichlorbenzilove [Czech]; propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate; Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-, 1-methylethyl ester; DSSTox_CID_21778; DSSTox_RID_79841; DSSTox_GSID_41778; BIDD:ER0168; SCHEMBL164178; CHEMBL1552611; DTXSID5041778; CTK8F8618; AXGUBXVWZBFQGA-UHFFFAOYSA-N; ZINC2555374; Tox21_301914; NCGC00166181-01; NCGC00255485-01; LS-32463; CAS-5836-10-2; Chloropropylate 10 microg/mL in Isooctane; C19027; Chlorpropylat, PESTANAL(R), analytical standard; Isopropyl bis(4-chlorophenyl)(hydroxy)acetate #; 4-10-00-01276 (Beilstein Handbook Reference); C-56149; isopropyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate; Q27119854; 1-Methylethyl 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-hydroxybenzeneacetate; Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-1-methylethyl ester; Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-1-methylethyl ester (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H16Cl2O3",
"molecular_weight": "339.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "22094",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01849",
"RC02470",
"RC03091"
]
},
{
"compound_ID": "D0844",
"name": "chloroxine",
"synonyms": "chloroxine; 5,7-Dichloroquinolin-8-ol; 773-76-2; 5,7-Dichloro-8-hydroxyquinoline; Chlorquinol; 5,7-Dichloro-8-quinolinol; Capitrol; Dichloroxin; Quixalin; Chloroxyquinoline; Dichloroquinolinol; Dikhloroskin; Clofuzid; Endiaron; Quinolor; Dichlorohydroxyquinoline; Chlofucid; Quesyl; 5,7-Dichlorooxine; 5,7-Dichloroxine; 5,7-Dichloro-8-oxyquinoline; 8-QUINOLINOL, 5,7-DICHLORO-; Chlorohydroxyquinoline; Chloroxine [USAN]; 5,7-Dichlor-8-hydroxychinolin; C9H5Cl2NO; NSC 3904; CHQ; UNII-2I8BD50I8B; CCRIS 5751; Capitrol Cream Shampoo; EINECS 212-258-3; BRN 0153606; 5,7-Dichlor-8-hydroxychinolin [German]; SQ 16401; 2I8BD50I8B; 5,7-Dichloro-8-hydroquinoline; CHEBI:59477; NSC3904; WDFKMLRRRCGAKS-UHFFFAOYSA-N; Chloroxine (USAN); AS-229; NCGC00095264-01; DSSTox_CID_2801; DSSTox_RID_76734; DSSTox_GSID_22801; dichloroquine; 5,7-Dichloro-8-hydroxyquinoline, 99%; CAS-773-76-2; SR-01000747474; 5,7-Dichloro-8-hydroxy-quinoline; Capitrol (TN); PubChem21919; Spectrum_001434; 5,7-Dichloro-8-oxine; Spectrum2_000687; Spectrum3_001156; Spectrum4_000744; Spectrum5_001444; 8-Quinolinol,7-dichloro-; ACMC-209p9h; cid_2722; SCHEMBL3350; Oprea1_486275; REGID_for_CID_2722; BSPBio_002711; KBioGR_001068; KBioSS_001914; 5-21-03-00286 (Beilstein Handbook Reference); KSC495K7R; MLS000681736; BIDD:GT0763; DivK1c_000578; SPECTRUM1503202; SPBio_000813; ZINC1131; CHEMBL1200596; DTXSID5022801; BDBM32147; CTK3J5578; HMS501M20; KBio1_000578; KBio2_001914; KBio2_004482; KBio2_007050; KBio3_002211; KS-00000FNW; NINDS_000578; HMS1923K05; HMS2092N04; HMS2609A16; HMS3259E17; HMS3655G16; HMS3712O06; Pharmakon1600-01503202; Capitrol Cream Shampoo (Salt/Mix); component of Capitrol Cream Shampoo; HY-B0295; NSC-3904; 5,7-Dichloro-8-quinolinol, 99%; Tox21_111494; ANW-37011; CCG-40039; NSC758398; s1839; SBB039926; STK075368; AKOS000271338; Tox21_111494_1; AC-4820; CS-2324; DB01243; MCULE-3987057340; NC00505; NSC-758398; RTR-024734; TRA0059012; IDI1_000578; UPCMLD0ENAT5752182:001; NCGC00095264-02; NCGC00095264-03; NCGC00095264-04; NCGC00095264-05; AK-89722; CPD000312779; SAM002554895; SC-75357; SMR000312779; SY016017; TG2-36-1; SBI-0051782.P002; AB2000325; LS-142531; TR-024734; A9795; D0412; FT-0623709; ST24029249; ST50160577; SW198618-2; D03472; AB00052323-08; AB00052323_09; AB00052323_10; SR-01000747474-2; SR-01000747474-3; W-104320; BRD-K17075857-001-06-9; Q12029435; F0918-0943; UNII-Z7Z4BX535U component WDFKMLRRRCGAKS-UHFFFAOYSA-N;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H5Cl2NO",
"molecular_weight": "214.04",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2722",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108",
"F020403"
],
"references": [
"RC01850",
"RC02471",
"RC03092",
"RC04870"
]
},
{
"compound_ID": "D0845",
"name": "chromomycin",
"synonyms": "chromomycin a3; Chromomycin; NSC58514; 7059-24-7; CHEMBL409466; AKOS030213124; CCG-208175; NCI60_004421; FT-0623800; WLN: L C666 DVT&&J BQ FYO1&VYQYQ1 M1 NQ LO- BT6OTJ DOV1 F1 EO- BT6OTJ DQ EO1F1&& EO- BT6OTJ EQ F1;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C57H82O26",
"molecular_weight": "1183.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5351560",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01851",
"RC02472",
"RC03093"
]
},
{
"compound_ID": "D0846",
"name": "chrysarobin",
"synonyms": "3-Methylanthralin; 3-Methyl-1,8,9-anthracenetriol; 491-59-8; Purified araroba; Chrysophanic acid anthranol; 1,8,9-Anthracenetriol, 3-methyl-; UNII-0433FJV3CI; 1,8,9-Trihydroxy-3-methylanthracene; CCRIS 5597; 1,8-Dihydroxy-3-methylanthron; 9-hydroxy chrysarobin; 3-methylanthracene-1,8,9-triol; 3-Methyl-1,8,9-trihydroxyanthracene; BRN 2124735; AI3-62089; 0433FJV3CI; JBGKVNQFVAJOGC-UHFFFAOYSA-N; 3-Methyl-1,8-dihydroxy-9,10-dihydro-9-oxoanthracen; NCGC00181774-01; DSSTox_CID_28597; DSSTox_RID_82868; DSSTox_GSID_48671; CAS-491-59-8; Purified goa powder; Chrysophansaureanthranol; 4-06-00-07604 (Beilstein Handbook Reference); SCHEMBL5858623; CHEMBL2135835; DTXSID1048671; CTK4J1116; Tox21_113041; 2C15H12O3; ACM491598; Tox21_113041_1; ZINC100090070; NCGC00181774-02; LS-20394; DB-051605; LS-187737; FT-0632219; Q27247612",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H12O3",
"molecular_weight": "240.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10288",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01852",
"RC02473",
"RC03094"
]
},
{
"compound_ID": "D0847",
"name": "chrysin",
"synonyms": "chrysin; 480-40-0; 5,7-Dihydroxyflavone; Chrysine; 5,7-Dihydroxy-2-phenyl-4H-chromen-4-one; Crysin; 5,7-dihydroxy-2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-; UNII-3CN01F5ZJ5; NSC 407436; NSC-407436; FLAVONE, 5,7-DIHYDROXY-; EINECS 207-549-7; NSC407436; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; CHEMBL117; 5,7-Dihydroxy-2-phenyl-chromen-4-one; BRN 0233276; 3CN01F5ZJ5; CHEBI:75095; RTIXKCRFFJGDFG-UHFFFAOYSA-N; 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one; MFCD00006834; Chrysin, 99+%; CAS-480-40-0; 5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one; SMR000112318; SR-01000765660; Chrysinic acid; 3ebo; 4des; 57D; Chrysin,(S); 5,7-diOH-Flavone; PubChem9839; Flavone,7-dihydroxy-; Chrysin, 97%; Ois 3; Spectrum_000245; 5, 7-Dihydroxyflavone; Prestwick0_000889; Prestwick1_000889; Prestwick2_000889; Prestwick3_000889; Spectrum2_000753; Spectrum3_001399; Spectrum4_000780; Spectrum5_001503; DSSTox_CID_2396; Chrysin, analytical standard; DSSTox_RID_76571; DSSTox_GSID_22396; Oprea1_045160; SCHEMBL44474; BSPBio_000678; BSPBio_002514; BSPBio_003018; KBioGR_001200; KBioSS_000725; 5-18-04-00076 (Beilstein Handbook Reference); MLS000697728; MLS001074879; MLS006011841; BIDD:ER0484; DivK1c_000614; SPECTRUM1500709; SPECTRUM1505144; SPBio_000766; SPBio_002897; BDBM7461; BPBio1_000746; GTPL8789; MEGxp0_001416; DTXSID1022396; ACon1_000087; cid_5281607; CTK4J0553; HMS501O16; KBio1_000614; KBio2_000725; KBio2_003293; KBio2_005861; KBio3_002238; NINDS_000614; HMS1570B20; HMS1921E20; HMS2097B20; HMS2268I23; HMS3468N08; HMS3655L20; ALBB-015581; BCP22863; KS-00000HC3; ZINC3872070; Tox21_302335; ANW-43827; BBL010449; CC-079; CCG-40148; LMPK12110189; s2281; SBB012459; STK801609; AKOS000275936; BCP9000172; CS-7531; DB15581; GS-0927; MCULE-7719714939; RTR-017608; SDCCGMLS-0066586.P001; IDI1_000614; SMP1_000070; NCGC00016456-01; NCGC00016456-02; NCGC00016456-03; NCGC00016456-04; NCGC00016456-05; NCGC00016456-06; NCGC00016456-07; NCGC00016456-08; NCGC00016456-09; NCGC00016456-10; NCGC00016456-12; NCGC00094842-01; NCGC00094842-02; NCGC00094842-03; NCGC00094842-04; NCGC00094842-05; NCGC00168807-01; NCGC00168807-02; NCGC00168807-03; NCGC00168807-04; NCGC00255307-01; AC-10052; HY-14589; LS-68972; NCI60_003886; SC-04753; SC-57642; ST069324; 5,7-bis(oxidanyl)-2-phenyl-chromen-4-one; AB0006577; AB1003937; TR-017608; 5,7-dihydroxy-2-phenyl-1-benzopyran-4-one; AB00513947; C1652; FT-0082809; FT-0619846; FT-0686390; N1336; SW197197-2; 5,7-Dihydroxy-2-phenyl-4H-chromen-4-one #; 4H-1-Benzopyran-4-one,7-dihydroxy-2-phenyl-; 80C400; A-8723; C10028; S00112; A827426; Q973741; SR-01000765660-3; SR-01000765660-4; 34B3B4AD-EEDD-4943-A1C6-8857D2FAA8E0; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9CI; BRD-K22861715-001-07-5; BRD-K22861715-001-12-5; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl- (9CI); 4H-1,3-BENZODIOXIN-8-CARBONYL CHLORIDE,6-FLUORO-,M; 773134-15-9;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H10O4",
"molecular_weight": "254.24",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5281607",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01853",
"RC02474",
"RC03095"
]
},
{
"compound_ID": "D0848",
"name": "ciclesonide",
"synonyms": "Ciclesonide; Omnaris; Alvesco; Zetonna; 126544-47-6; RPR 251526; RPR251526; UNII-S59502J185; RPR-251526; (R)-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with cyclohexanecarboxaldehyde, 21-isobutyrate; Ciclesonide [INN]; S59502J185; 141845-82-1; Osonase; Osonide; Omnair; Alvesco HFA; Omnaris HFA; Pregna-1,4-diene-3,20-dione, 16,17-(((R)-cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha)-; Pregna-1,4-diene-3,20-dione, 16,17-((cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha(R))-; Alvesco (TN); Omnaris (TN); Ciclesonide [USAN:INN]; BTR-15K; Ciclesonide (JAN/USAN/INN); BTR-15; TBN-15; NCGC00167484-01; (11?,16?)-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-pregna-1,4-diene-3,20-dione; Alvesco 80; Alvesco, Ciclesonide; BYK-20426; Alvesco 160; BY-9010; KS-1165; 2-oxoethyl isobutyrate; AC1MIWNR; SCHEMBL3688; DSSTox_CID_26659; DSSTox_RID_81802; DSSTox_GSID_46659; B-9207-015; GTPL7469; el-87-6; CHEMBL2040682; DTXSID9046659; CHEBI:31397; Ciclesonide, >=98% (HPLC); LUKZNWIVRBCLON-GXOBDPJESA-N; HMS3714N07; HY-B0625; ZINC3915154; Tox21_112486; BDBM50247997; s4646; AKOS015994702; AC-1330; BI54903; CS-2867; DB01410; NCGC00167972-01; CC-25775; O945; LS-186047; CAS-141845-82-1; D01703; 544C476; C-23151; SR-01000942227; Q5119448; SR-01000942227-1; Ciclesonide, European Pharmacopoeia (EP) Reference Standard; (11?,16?)-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione; 2-((6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-cyclohexyl-7-hydroxy-6a,8a-dimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-; 2H-Naphth (2',1':4,5) indeno (1,2-d) (1,3) dioxole, pregna-1,4-diene-3,20-dione deriv.;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C32H44O7",
"molecular_weight": "540.7",
"state": "solid",
"clearance": "* 152 L/hr [Following IV administration of 800 mcg of ciclesonide]",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "The percentage of ciclesonide and des-ciclesonide bound to human plasma proteins averaged ≥ 99% each, with ≤ 1% of unbound drug detected in the systemic circulation.",
"half_life": "",
"absorption": "Ciclesonide and des-ciclesonide have negligible oral bioavailability (both less than 1%) due to low gastrointestinal absorption and high first-pass metabolism. The intranasal administration of ciclesonide at recommended doses results in negligible serum concentrations of ciclesonide.",
"cid": "6918155",
"classification": "R",
"indications": "",
"side_effects": "",
"atc_codes": "R01AD13; R03BA08",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01854",
"RC02475",
"RC03096"
]
},
{
"compound_ID": "D0849",
"name": "cilnidipine",
"synonyms": "cilnidipine; 132203-70-4; Cinalong; FRC 8653; FRC-8653; Siscard; Atelec; 3-cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Cilnidipine [INN]; CHEBI:31399; (+-)-(E)-Cinnamyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; Cilnidipine, 99%; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-methoxyethyl (2E)-3-phenyl-2-propenyl ester; 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; NCGC00162150-01; Cinaldipine; DSSTox_CID_26309; DSSTox_RID_81530; DSSTox_GSID_46309; C27H28N2O7; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 3-phenyl-2-propenyl ester, (E)-(+-)-; Atelec (TN); CAS-132203-70-4; SR-05000001454; Cilnidipine (JP17/INN); SCHEMBL25550; CHEMBL452076; GTPL7767; DTXSID0046309; CHEBI:91506; HMS2089J07; HMS3261E06; HMS3413L13; HMS3677L13; HMS3715N17; BCP22689; EBD38396; Tox21_112001; Tox21_500422; AC-270; BDBM50101813; MFCD00865853; s1293; STK623341; AKOS005558085; Tox21_112001_1; CCG-221188; CCG-221726; Cilnidipine, >=98% (HPLC), powder; CS-1133; DB09232; KS-1294; LP00422; NCGC00162150-02; NCGC00162150-03; NCGC00162150-04; NCGC00261107-01; 2-methoxyethyl-3-phenyl-2-propen-1-yl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate; H738; HY-17404; SC-25763; AB0004990; AB2000034; LS-131293; RT-012023; ST24042102; SW219784-1; D01173; K-4145; AB01274755-01; AB01274755-02; AB01274755_03; FRC-8653; FRC 8653; FRC8653; 203C704; Q731525; J-006141; SR-05000001454-1; SR-05000001454-2; BRD-A07875874-001-01-6; F2173-0669; FRC 8653, 132203-70-4; 2-Methoxyethyl (2E)-3-Phenyl-2-propenyl 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) 5-[(2E)-3-phenyl-2-propen-1-yl] ester; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-methoxyethyl 3-phenyl-2-propenyl ester, (E)-(+-)-; O3-(2-methoxyethyl) O5-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C27H28N2O7",
"molecular_weight": "492.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "Drugs on the group of dihydropyridines such as cilnidipine tend to have a large volume of distribution.[T119]",
"route_of_elimination": "Cilnidipine gets eliminated through the urine in a proportion of 20% of the administered dose and 80% is eliminated by the feces.[L1440]",
"protein_binding": "Cilnidipine presents a very high protein binding that represents to even 98% of the administered dose.[L1444]",
"half_life": "The half-life of the hypotensive effect for cilnidipine is of about 20.4 min.[A32004]",
"absorption": "Cilnidipine presents a very rapid absorption with a maximum peaked concentration after 2 hours. Its distribution tends to be higher in the liver as well as in kidneys, plasma and other tissues. Cilnidipine does not present a high accumulation in the tissue after repeated oral administration.[L1444]\n\nCilnidipine is reported to present very low bioavailability determined to be approximately 13%. This low bioavailability is suggested to be due to its low aqueous solubility and high permeability. Hence, efforts have been made in order to find an innovative formulation that can significantly improve the bioavailability of this drug. One of these formulations corresponds to the generation of polymeric nanoparticles which enhance the bioavailability by 2.5-3-fold.[L6124]",
"cid": "5282138",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C08CA14",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01856",
"RC02477",
"RC03098"
]
},
{
"compound_ID": "D0850",
"name": "cinalukast",
"synonyms": "Cinalukast; 128312-51-6; Ro 24-5913; UNII-5E1O433QAI; Ro-24-5913; 3'-((E)-2-(4-Cyclobutyl-2-thiazolyl)vinyl)-2,2-diethylsuccinanilic acid; 5E1O433QAI; CHEMBL283754; CHEBI:126598; NCGC00092300-01; Cinalukast [USAN:INN]; DSSTox_CID_25742; DSSTox_RID_81087; DSSTox_GSID_45742; CAS-128312-51-6; Cinalukast (USAN/INN); SCHEMBL37964; SCHEMBL37965; MLS003899216; Cinalukast, ~98% (HPLC); DTXSID1045742; CHEBI:93279; BZMKNPGKXJAIDV-VAWYXSNFSA-N; HMS3413E03; HMS3677E03; ZINC3803377; Tox21_111191; BDBM50064086; MFCD00864778; AKOS024456917; Tox21_111191_1; DB00587; Ro-245913; (E)-4-[[3-(2-(4-Cyclobutyl-2-thiazolyl)ethenyl)phenyl]amino]-2,2-diethyl-4-oxobutanoic acid; NCGC00092300-02; 4-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}amino)-2,2-diethyl-4-oxobutanoic acid; SMR002543511; RT-012024; B6930; D02846; L000942; J-005592; BRD-K72816382-001-01-3; Q20817064; N-{3-[(E)-2-(4-Cyclobutyl-thiazol-2-yl)-vinyl]-phenyl}-2,2-diethyl-succinamic acid; (E)-4-[[3-[2-(4-cyclobutyl-2-thiazolyl)-ethenyl]phenyl]amino]-2,2-diethyl-4-oxobutanoic acid; 3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid; 4-[[3-[(1E)-2-(4-Cyclobutyl-2-thiazolyl)ethenyl]phenyl]amino]-2,2-diethyl-4-oxobutanoic acid; Butanoic acid, 4-((3-(2-(4-cyclobutyl-2-thiazolyl)ethenyl)phenyl)amino)-2,2-diethyl-4-oxo-, (E)-; Butanoic acid, 4-[[3-[(1E)-2-(4-cyclobutyl-2-thiazolyl)ethenyl]phenyl]amino]-2,2-diethyl-4-oxo-; N-{3-[2-(4-Cyclobutyl-thiazol-2-yl)-vinyl]-phenyl}-2,2-diethyl-succinamic acid(Ro 24-5913);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H28N2O3S",
"molecular_weight": "412.5",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6436135",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01857",
"RC02478",
"RC03099"
]
},
{
"compound_ID": "D0851",
"name": "clobetasol",
"synonyms": "clobetasol; 25122-41-2; Clobetasolum; UNII-ADN79D536H; ADN79D536H; CHEBI:205919; (8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; Clobetasol [INN:BAN]; Clobetasolum [INN-Latin]; 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; EINECS 246-633-8; (11beta,16beta)-21-chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione; HSDB 7994; NCGC00164580-01; Clobetasol (INN); Clobecort Amex (TN); SCHEMBL3996; DSSTox_CID_28881; DSSTox_RID_83149; DSSTox_GSID_48955; CHEMBL1201362; DTXSID2048955; Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-; Clobetasol Propionate EP Impurity G; Tox21_113384; ZINC26892643; AKOS025401451; AC-1775; API0024630; DB11750; M194; CAS-25122-41-2; FT-0665105; D07715; 122C412; J-015820; Q4224007; Clobetasol, >=95.0% (HPLC), pharmaceutical impurity standard; (1R,2S,10S,11S,13S,14R,15S,17S)-14-(2-chloroacetyl)-1-fluoro-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione (Clobetasol);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H28ClFO4",
"molecular_weight": "410.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5311051",
"classification": "D",
"indications": "",
"side_effects": "",
"atc_codes": "D07CD01; D07AD01",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01858",
"RC02479",
"RC03100"
]
},
{
"compound_ID": "D0852",
"name": "clobetasol propionate",
"synonyms": "CLOBETASOL PROPIONATE; 25122-46-7; Clobetasol 17-propionate; Clobex; Dermovate; Temovate; Embeline; Embeline E; Clobesol; Cormax; Temovate E; Olux-E; Clobestasol propionate; clobetasol 17-propanoate; GR 2/925; C25H32ClFO5; MLS000028708; [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate; CCI 4725; CGP 9555; 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate; EINECS 246-634-3; UNII-779619577M; CLOBETASOL PROPIONATE (EMOLLIENT); SMR000058745; CHEBI:31414; CCI-4725; DSSTox_CID_25907; DSSTox_RID_81219; DSSTox_GSID_45907; 21-Chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione (11beta,16beta)-; Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (11beta,16beta)-; 779619577M; Dermoxinale; Butavate; Dermoval; Yugofin; 21-chloro-9-fluoro-11beta-hydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate; 21-Chloro-9-fluoro-11beta-hydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate; Clobetasolpropionate; Olux E; Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11-beta,17-dihydroxy-16-beta-methyl-, 17-propionate; Clobetasol propionate [USAN:JAN]; Clobetasol propionate gel; Clarelux; Impoyz; NCGC00095078-01; CPD000058745; clobetasol-propionate; CAS-25122-46-7; Clobex (TN); Cormax (TN); Clobetasol propionate [USAN:USP:JAN]; Olux (TN); OLUX FOAM; Clobetasol propionate E; Propionic acid clobetasol; Opera_ID_1470; SCHEMBL3997; cid_32798; MLS001076345; AMOT0927; GTPL7062; CCl 4725; CHEMBL1159650; DTXSID6045907; BDBM39347; CGP9555; EBD6220; HMS2090A04; HMS2230H08; HMS3259A10; HMS3714M04; Clobetasol propionate (JP17/USP); BCP04125; ZINC3977767; Tox21_111414; MFCD00058499; s2584; AKOS015951278; Tox21_111414_1; BCP9000539; CCG-220781; CS-2594; DB01013; NC00551; NCGC00023373-03; NCGC00023373-04; AC-17990; AS-12555; CC-25914; Clobetasol propionate, analytical standard; HY-13600; BCP0726000094; AB1009262; LS-118433; D01272; AB00383081-10; AB00383081_11; 122C467; C-22667; Q421637; SR-01000000280; SR-01000000280-4; BRD-K10799896-001-10-6; BRD-K10799896-001-26-2; Clobetasol propionate, European Pharmacopoeia (EP) Reference Standard; Clobetasol propionate, United States Pharmacopeia (USP) Reference Standard; 21-Chloro-9-fluoro-11b,17-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione 17-propionate; Clobetasol for peak identification, European Pharmacopoeia (EP) Reference Standard; Clobetasol Propionate, Pharmaceutical Secondary Standard; Certified Reference Material; (11b,16b)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione; (11beta,16beta)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate; 21-chloro-9-fluoro-11 beta-hydroxy-16 beta-methylpregna-1,4-diene-3,20-dione 17-propionate; 21-chloro-9-fluoro-11ss,17-dihydroxy-16ss-methylpregna-1,4-diene-3,20-dione 17-propionate; 21-Chloro-9alpha-fluoro-11beta,17alpha-dihydroxy-16beta-methyl-1,4-pregnadiene-3,20-dione 17-Propionate; CGP9555 pound>> CCl 4725 pound>>CGP 9555 pound>> CCl4725 pound>>CGP-9555 pound>> CCl-4725; Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11-beta,17-dihydroxy-16-beta-methyl-,17-propionate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H32ClFO5",
"molecular_weight": "467",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "Corticosteroids are metabolized primarily in the liver and are then excreted by the kidneys. Some of the topical corticosteroids, including clobetasol propionate and its metabolites, are also excreted into the bile.",
"protein_binding": "",
"half_life": "",
"absorption": "Topical corticosteroids can be absorbed from intact healthy skin. The extent of percutaneous absorption of topical corticosteroids is determined by many factors, including the vehicle and the integrity of the epidermal barrier. Occlusion, inflammation and/or other disease processes in the skin may also increase percutaneous absorption.",
"cid": "32798",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01859",
"RC02480",
"RC03101"
]
},
{
"compound_ID": "D0853",
"name": "cloflucarban",
"synonyms": "Cloflucarban; Halocarban; 369-77-7; Irgasan CF3; Cloflucarbon; Halocarbano; Halocarbanum; Trifluoromethyldichlorocarbanilide; UNII-I5ZZY3DC5G; 4,4'-Dichloro-3-(trifluoromethyl)carbanilide; Cloflucarban [USAN]; I5ZZY3DC5G; 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea; Halocarban (INN); Halocarban [INN]; NSC114133; Cloflucarban (USAN); TFC; NCGC00185743-01; 1-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-3-(4-CHLOROPHENYL)UREA; Urea, N-(4-chlorophenyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-; DSSTox_CID_28610; DSSTox_RID_82880; DSSTox_GSID_48684; Carbanilide, 4,4'-dichloro-3-(trifluoromethyl)- (8CI); N-(4-Chlorophenyl)-N'-(4-chloro-3-(trifluoromethyl)phenyl)urea; Urea, N-(4-chlorophenyl)-N'-(4-chloro-3-(trifluoromethyl)phenyl)-; CAS-369-77-7; Halocarbanum [INN-Latin]; Halocarbano [INN-Spanish]; N-(4-chlorophenyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]urea; Cloflucarban(USAN); EINECS 206-724-5; NSC 114133; 3-Trifluoromethyl-4,4'-dichloro-N,N'-diphenylurea; MLS004774004; SCHEMBL119821; ZINC1188; CHEMBL1981438; DTXSID0048684; CTK7G4989; 1-(4-Chlorphenyl)-3-(4-chlor-3-trifluormethylphenyl)urea; CHEBI:135477; N-(4-Chlorophenyl)-N'-(4-chloro-3-(tifluoromethyl)phenyl)urea; Tox21_113070; 3-Trifluoromethyl-4,N'-diphenylurea; ACM369777; MFCD00867294; AKOS001047813; Tox21_113070_1; API0011100; NSC-114133; NCGC00185743-02; AS-56259; SMR001798711; 3-(Trifluoromethyl)-4,4'-dichlorocarbanilide; Carbanilide,4'-dichloro-3-(trifluoromethyl)-; 4,4'-Dichloro-3-(trifluoromethyl)-carbanilide; D03548; BRD-K31002570-001-01-2; Q27280484; Z44608704; 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-chlorophenyl)urea;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H9Cl2F3N2O",
"molecular_weight": "349.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9719",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01860",
"RC02481",
"RC03102"
]
},
{
"compound_ID": "D0854",
"name": "clofoctol",
"synonyms": "clofoctol; 37693-01-9; Octofene; Clofoctol [INN]; Clofoctolum [INN-Latin]; C21H26Cl2O; UNII-704083NI0R; EINECS 253-632-6; BRN 2478182; 2-((2,4-Dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)phenol; Clofoctol (INN); 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol; Phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-; 704083NI0R; NCGC00095016-01; Clofoctolum; 2-(2,4-Dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol; alpha-(2,4-Dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol; DSSTox_CID_25889; DSSTox_RID_81203; DSSTox_GSID_45889; 2-[2,4-Dichlorobenzyl]-4-[1,1,3,3-tetramethylbutyl]phenol; 2-(2,4-dichlorobenzyl)-4-(2,4,4-trimethylpentan-2-yl)phenol; 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol; CAS-37693-01-9; Gramplus; Phenol, 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)-; Octofene (TN); Spectrum_001533; Spectrum2_001533; Spectrum3_001565; Spectrum4_000161; Spectrum5_001082; BSPBio_003070; KBioGR_000641; KBioSS_002013; MLS002207309; Clofoctol, analytical standard; DivK1c_000426; SCHEMBL147809; SPECTRUM1503206; SPBio_001346; CHEMBL1476605; DTXSID5045889; CTK6G7999; HMS501F08; KBio1_000426; KBio2_002013; KBio2_004581; KBio2_007149; KBio3_002570; CHEBI:108581; HQVZOORKDNCGCK-UHFFFAOYSA-N; NINDS_000426; HMS1922I09; Pharmakon1600-01503206; HY-B1150; ZINC2149829; Tox21_111389; 2329AH; CCG-39311; NSC758389; AKOS024374914; Tox21_111389_1; CS-4755; DB13237; MCULE-3939000404; NSC-758389; ACM37693019; IDI1_000426; NCGC00095016-02; NCGC00095016-03; NCGC00095016-05; SMR001306814; SBI-0051786.P002; LS-104344; FT-0704662; ST51014944; SW220062-1; D07244; AB00052326_04; AB00052326_05; C-56242; SR-01000872766; Q3680895; SR-01000872766-1; BRD-K02900412-001-04-8; BRD-K02900412-001-05-5; BRD-K02900412-001-07-1; 2-(2,4-Dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol #; .alpha.-(2,4-Dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol; Octophene(2,4-dichlorobenzyl)-2(1,1,3,3-tetramethyl-butyl)- 4-phenol;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H26Cl2O",
"molecular_weight": "365.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2799",
"classification": "J",
"indications": "",
"side_effects": "",
"atc_codes": "J01XX03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01861",
"RC02482",
"RC03103"
]
},
{
"compound_ID": "D0855",
"name": "clonixin",
"synonyms": "CLONIXIN; 17737-65-4; Clonixic acid; Chlonixin; Clonixine; Deltar; Sch 10304; Clonixino; Clonixinum; 2-(3-Chloro-o-toluidino)nicotinic acid; 2-(3-Chloro-2-methylanilino)nicotinic acid; Clonixin [USAN:INN]; Clonixine [INN-French]; Clonixinum [INN-Latin]; Clonixino [INN-Spanish]; UNII-V7DXN0M42R; Nicotinic acid, 2-(3-chloro-o-toluidino)-; CBA 93626; NSC 335505; Sch-10304; CHEBI:76200; 2-(2'-Methyl-3'-chloro)anilinonicotinic acid; EINECS 241-730-1; BRN 0483212; V7DXN0M42R; 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid; 2-[(3-chloro-2-methylphenyl)amino]-3-pyridinecarboxylic acid; 3-Pyridinecarboxylic acid, 2-[(3-chloro-2-methylphenyl)amino]-; 2-((3-Chloro-2-methylphenyl)amino)nicotinic acid; 2-[(3-Chloro-2-methylphenyl)amino]nicotinic Acid; NSC335505; NCGC00160384-01; 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-; 2-(2-Methyl-3-chloroanilino)nicotinic acid; 2-(3-Chloro-2-methyl-phenylamino)-nicotinic acid; Clonix; 3-Pyridinecarboxylicacid, 2-[(3-chloro-2-methylphenyl)amino]-; SMR000768694; 6J3; Clonixin (USAN/INN); Clonixic acid (Clonixin); DSSTox_CID_26121; DSSTox_RID_81357; DSSTox_GSID_46121; 5-22-13-00597 (Beilstein Handbook Reference); MLS001240214; MLS006010083; SCHEMBL121785; ZINC1195; Clonixin, >=98% (HPLC); 2-(3-chloro-2-methyl-anilino)pyridine-3-carboxylic acid; CHEMBL1332971; DTXSID2046121; CTK0H4617; CLOMYZFHNHFSIQ-UHFFFAOYSA-N; HMS2231D05; HMS3372P16; KS-000017DD; ZX-AH009812; Tox21_111776; ANW-43704; BDBM50201612; CBA-93626; MFCD00864292; s5046; AKOS003188453; AC-1607; API0002071; DB09218; KS-5237; MCULE-2179054835; NSC-335505; ABA-9466436; ACM17737654; AK343413; CC-25927; LS-96542; Q451; CAS-17737-65-4; FT-0658266; 2-(3-chloro-2-methylphenylamino)nicotinic acid; D03555; K-5439; 737C654; A812252; C-23659; SR-01000338177; J-011274; Q5135028; SR-01000338177-1; 2-(3-chloro-2-methylanilino)-3-pyridinecarboxylic acid; 2-(3'-chloro-2'-methylanilino)-pyridine-3-carboxylic acid; 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylic acid; 3-Pyridinecarboxylic acid, {2-[(3-chloro-2-methylphenyl)amino]-};",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H11ClN2O2",
"molecular_weight": "262.69",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "28718",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01862",
"RC02483",
"RC03104"
]
},
{
"compound_ID": "D0856",
"name": "cloxyquin",
"synonyms": "130-16-5; 5-CHLORO-8-HYDROXYQUINOLINE; Cloxiquine; 5-Chloroquinolin-8-ol; cloxyquin; 5-Chloro-8-quinolinol; Dermofongin; 8-Quinolinol, 5-chloro-; 5-Chlorooxine; Chlorisept; Dermofungin; 5-Chloro-8-oxyquinoline; Chloroxychinolin; Dermofongin A; 8-Hydroxy-5-chloroquinoline; Monochlorohydroxyquinoline; Cloxyquin [USAN]; 5-Chlor-8-chinolinol; 5-Chloro-quinolin-8-ol; 5-chloranylquinolin-8-ol; Cloxiquinum [INN-Latin]; Cloxiquina [INN-Spanish]; UNII-BPF36H1G6S; NSC 35083; EINECS 204-978-1; MFCD00006788; BRN 0005289; BPF36H1G6S; MLS002695956; CTQMJYWDVABFRZ-UHFFFAOYSA-N; Cloxiquine (INN); Cloxiquine [INN]; NSC35083; Cloxyquin (USAN); NCGC00095303-02; Cloxiquina; SMR000274338; DSSTox_CID_25973; DSSTox_RID_81265; DSSTox_GSID_45973; Cloxiquinum; 5-Chloro-8-hydroxyquinoline, 95%; CAS-130-16-5; Dermofungin|; 5-Chloroquinophenol; 5-Chloro-8-quinolol; PubChem21921; Spectrum_000820; ACMC-209bhm; Spectrum2_001131; Spectrum3_000361; Spectrum4_000297; Spectrum5_000785; 5-Chloro-quinoline-8-ol; 5Chloro-8-hydroxyquinoline; Chloroxyquinoline (Related); cid_2817; NCIOpen2_004102; Oprea1_189008; BSPBio_002081; KBioGR_000854; KBioSS_001300; 5-21-03-00279 (Beilstein Handbook Reference); 5-chloro-8-hydroxy-quinoline; KSC490S8H; DivK1c_000163; SCHEMBL115838; SPECTRUM1500202; SPBio_001021; CHEMBL225164; ZINC1209; 5-Chloro-8-quinolinol, 95%; DTXSID4045973; BCBcMAP01_000058; BDBM76305; CTK3J0983; HMS500I05; KBio1_000163; KBio2_001300; KBio2_003868; KBio2_006436; KBio3_001301; KS-00000IQZ; CHEBI:134818; NINDS_000163; HMS1920A06; HMS2091G14; HMS3091A16; Pharmakon1600-01500202; HY-B0963; Monochlorohydroxyquinoline (Related); NSC53182; STR00716; Tox21_111501; ANW-19160; CCG-39556; NSC-35083; NSC-53182; NSC756701; s4559; STK015543; AKOS000121487; Tox21_111501_1; AC-4776; CS-4448; MCULE-2202432462; NE10457; NSC-756701; PS-3329; RTR-004115; TRA0014963; IDI1_000163; QTL1_000025; NCGC00095303-01; NCGC00095303-03; NCGC00095303-04; AK-45933; SC-25590; SY047042; SBI-0051320.P003; DB-041946; LS-142487; TR-004115; FT-0620307; ST24029461; ST50237100; A16468; D03572; AB00051952_05; SR-05000002034; SR-05000002034-1; W-108352; BRD-K46982791-001-02-9; BRD-K46982791-001-04-5; Q27274791; F0001-0401; UNII-Z7Z4BX535U component CTQMJYWDVABFRZ-UHFFFAOYSA-N; InChI=1/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12; HZQ;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H6ClNO",
"molecular_weight": "179.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2817",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01863",
"RC02484",
"RC03105"
]
},
{
"compound_ID": "D0857",
"name": "coumatetralyl",
"synonyms": "COUMATETRALYL; Racumin; 5836-29-3; Endrocid; Endrocide; Rodentin; Endox; Raucumin 57; Cumatetralyl; Bayer 25 634; BAY ene 11183 B; Caswell No. 496A; Coumatetralyl [BSI:ISO]; 3-(d-Tetralyl)-4-hydroxycoumarin; ENE 11183 B; BAY 25634; Cumatetralyl [German, Dutch]; CCRIS 6923; 3-(alpha-Tetral)-4-oxycoumarin; HSDB 1725; 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)coumarin; EINECS 227-424-0; 3-(alpha-Tetralyl)-4-hydroxycoumarin; EPA Pesticide Chemical Code 496100; BRN 1323631; 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-; 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-1-benzopyran-2-one; 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-cumarin; Coumarin, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-; CHEBI:80742; 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine; 4-Idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina; 3-(1,2,3,4-Tetrahydro-1-naphtyl)-4-hydroxycoumarine; 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycumarin [German]; 3-(1,2,3,4-Tetrahydro-1-naphtyl)-4-hydroxycoumarine [French]; 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine [Dutch]; 4-Idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina [Italian]; Coumetralyl; Counmatetralyl; 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one; DSSTox_CID_21799; DSSTox_RID_79847; DSSTox_GSID_41799; SCHEMBL137261; 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycumarin; SCHEMBL5933927; 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycoumarin; CHEMBL3184636; DTXSID8041799; ULSLJYXHZDTLQK-UHFFFAOYSA-N; 3-(1-Tetralyl)-4-hydroxycoumarin; Tox21_301252; AKOS015903266; 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-1-benzopyran-2-one (8CI)(9CI); 3-(.alpha.-Tetralyl)-4-hydroxycoumarin; NCGC00255682-01; AC-12689; LS-55246; 3-(.alpha.-Tetralinyl)-4-hydroxycoumarin; CAS-5836-29-3; TR-020287; FT-0665202; C16806; Coumatetralyl, PESTANAL(R), analytical standard; Q415772; 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycoumarine; 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-chromen-2-one #; 4-Hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1-benzopyran-2-one; 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)- (9CI); 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-1-benzopyran-2-one (8CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H16O3",
"molecular_weight": "292.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "54678504",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01864",
"RC02485",
"RC03106"
]
},
{
"compound_ID": "D0858",
"name": "cresyl diphenyl phosphate",
"synonyms": "Diphenyl p-tolyl phosphate; UNII-X0UF1XXO1Q; 78-31-9; Phosphoric Acid Cresyl Diphenyl Ester; X0UF1XXO1Q; Diphenyl 4-tolyl phosphate; Phosphoric acid, 4-methylphenyl diphenyl ester; AK116602; HSDB 2558; P-CRESYL DIPHENYL PHOSPHATE; EINECS 201-104-0; Phosphoric acid, diphenyl p-tolyl ester; p-Cresyl diphenylphosphate; DSSTox_CID_4861; Monotolyl diphenyl phosphate; DSSTox_RID_77555; DSSTox_GSID_24861; SCHEMBL35597; KSC202K8J; ACMC-209t21; CHEMBL3187626; CTK1A2584; DTXSID70274039; OJUZRFGUKHQNJX-UHFFFAOYSA-N; ZINC2041271; 4-Methylphenyl diphenyl phosphate #; Tox21_202888; ANW-41927; Phosphoric acid p-tolyldiphenyl ester; AKOS015899069; NCGC00260434-01; CAS-26444-49-5; FT-0638606; Q27293237",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H17O4P",
"molecular_weight": "340.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6528",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01865",
"RC02486",
"RC03107"
]
},
{
"compound_ID": "D0859",
"name": "curcumin",
"synonyms": "curcumin; 458-37-7; Diferuloylmethane; Natural yellow 3; Turmeric yellow; Curcuma; Indian saffron; Turmeric; Kacha haldi; Gelbwurz; Curcumin I; Souchet; Haidr; Halad; Haldar; Halud; Merita earth; Terra Merita; Yellow Ginger; Yellow Root; Safran d'Inde; Yo-Kin; Curcuma oil; Golden seal; Orange Root; Oils, curcuma; C.I. Natural Yellow 3; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; Curcumine; Hydrastis; Indian turmeric; Yellow puccoon; Diferaloylmethane; Turmeric extract; Kurkumin [Czech]; Tumeric yellow; Turmeric oil; Oil of turmeric; CI Natural Yellow 3; Turmeric oleoresin; Curcuma longa oils; Zlut prirodni 3 [Czech]; Cucurmin; C.I. 75300; Tumeric oleoresin; Turmeric root oil; Turmeric, oleoresin; Curcuma oil (Curcuma longa); E 100; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; Curcurmin; Turmeric oil (Curcuma longa L.); Curcuma longa l. root oil; NSC32982; UNII-IT942ZTH98; NSC 32982; Turmeric (>98% curcurmin); FEMA No. 3085; FEMA No. 3086; CCRIS 3257; CCRIS 5804; CHEBI:3962; 1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; MLS000069631; Turmeric oleoresin (79%-85% curcumin); 8024-37-1; HSDB 4334; NCI-C61325; C21H20O6; EINECS 207-280-5; MFCD00008365; 1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione; CHEMBL140; NSC 687842; BRN 2306965; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-; CI 75300; SMR000058237; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-; IT942ZTH98; VFLDPWHFBUODDF-FCXRPNKRSA-N; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; (E,E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; NSC-32982; NSC687842; NCGC00017159-05; Kurkumin; DSSTox_CID_1421; (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione; (1E,6E)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione; Zlut prirodni 3; DSSTox_RID_78861; DSSTox_GSID_31077; curouma; kachs haldi; 2,7-Nonadiene-4,6-dione, 1,9-bis(4-hydroxy-3-methoxyphenyl)-; safra d'inde; CAS-458-37-7; Tu rmeric root oil; 98% curcurmin); 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-; Curcuma longa l. oil; 1,5-Di(vanillyliden)acetylaceton; Turmeric root oleoresin; SR-01000000149; 1,5-Divanillyliden-2,4-pentandion; Turmeric extract (Curcuma longa L.); Curcuma longa l. oleoresin; diferuloylmethan; E 100 (Dye); Curcuma longa l. root oleoresin; Haldar, Souchet; Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 98+%; Turmeric; Curcuma; Curcumin,(S); trans,trans-Curcumin; Opera_ID_1627; SCHEMBL8440; SCHEMBL8441; Curcumin, analytical standard; 4-08-00-03697 (Beilstein Handbook Reference); Curcumin (Synthetic), 98%; MLS001148449; BIDD:ER0479; CU-01000001305-2; turmeric root oil CO2 extract; cid_969516; GTPL7000; turmeric root oil hydrodistilled; DTXSID8031077; SCHEMBL13521974; BDBM29532; cid_5281767; BIC8500; CURCUMIN (SEE ALSO TUMERIC, OLEORESIN (10105-J)); cMAP_000052; HMS2233K04; HMS3649K06; ZINC899824; BB_NC-01422; BCP04695; HY-N0005; ZX-AT003872; Tox21_110803; Tox21_111505; Tox21_201116; BBL027711; BDBM50067040; BDBM50140172; BG0601; CC0179; CCG-36020; CCG-36107; GP8291; LS-125; SBB006495; STL371943; AKOS001305497; PREVENTION 4 (CURCUMIN) (SEE ALSO TUMERIC, OLEORESIN (10105-J)); TURMERIC, OLEORESIN (CURCUMIN) (SEE ALSO CURCURMIN (458-37-7)); BCP9000557; CS-1490; curcuma longa l. root oil CO2 extract; DB11672; LS-2189; OR24598; RTR-032605; SB17248; curcuma longa l. root oil hydrodistilled; NCGC00017159-04; NCGC00017159-06; NCGC00017159-07; NCGC00017159-09; NCGC00017159-10; NCGC00017159-11; NCGC00017159-12; NCGC00023332-03; NCGC00023332-04; NCGC00023332-05; NCGC00258668-01; AC-24238; AS-72202; M212; SC-17381; ST055629; BCP0726000035; DB-002681; TR-032605; WLN: 1OR BQ E1U1V1V1U1R DQ CO1; C-230; N1839; 1,3-Di(3-methoxy-4-hydroxystyryl)propanedial; 1790-EP2305629A1; 1790-EP2308861A1; J10108; K00009; W-5038; Curcumin, from Curcuma longa (Turmeric), powder; 458C377; Curcumin, primary pharmaceutical reference standard; Q312266; 1,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-; SR-01000000149-2; SR-01000000149-5; BRD-K07572174-001-02-2; BRD-K07572174-001-19-6; BRD-K07572174-001-22-0; Curcumin, >=94% (curcuminoid content), >=80% (Curcumin); 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione; 1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione; 1,7-DI(4-HYDROXY-3-METHOXYPHENYL)HEPTA-1,6-DIENE-3; Curcumin, matrix substance for MALDI-MS, >=99.5% (HPLC); Curcumin, United States Pharmacopeia (USP) Reference Standard; 1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; 1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione); (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione #; (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione.; (1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; (1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (E,E)-; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one; 5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one; Curcumin; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; (1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one; 91884-86-5; Curcumin solution, ~0.1 % (w/v) (in ethanol with 2M HCl (99:1 v/v)), for TLC derivatization;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H20O6",
"molecular_weight": "368.4",
"state": "solid",
"clearance": "No pharmacokinetic data available.",
"volume_of_distribution": "Following oral administration of radio-labelled curcumin to rats, radioactivity was detected in the liver and kidneys [F114].",
"route_of_elimination": "Following oral administration of curcumin to rats at a dose of 1 g/kg bw, about 75% of dose was excreted in the faeces and only traces of the compound was detected in the urine [F114]. When a single 400 mg dose of curcumin was administered orally to rats, about 60% was absorbed and 40% was excreted unchanged in the faeces over an period of 5 days [F114]. Intraperitoneal administration resulted in fecal excretion of 73% and biliary excretion of 11% [F114].",
"protein_binding": "No pharmacokinetic data available.",
"half_life": "No pharmacokinetic data available.",
"absorption": "Curcumin displays poor absorption into the gastrointestinal tract. In a rat study, oral administration of a single dose of 2 g of curcumin resulted in a plasma concentration of less than 5 μg/mL, indicating poor absorption from the gut [F114].",
"cid": "969516",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC01866",
"RC02487",
"RC03108",
"RC04046",
"RC04170",
"RC04294",
"RC04418",
"RC04542"
]
},
{
"compound_ID": "D0860",
"name": "cybutryne",
"synonyms": "Cybutryne; 28159-98-0; Irgarol 1051; Irgarol; Cybutryne [ISO]; 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine; UNII-E7B77O21GH; 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine; EINECS 248-872-3; N'-tert-Butyl-N-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine; N2-(tert-Butyl)-N4-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine; CHEBI:5962; E7B77O21GH; 2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine; 1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-; N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine; C11H19N5S; 4-N-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine; ACMC-20aoma; DSSTox_CID_12416; DSSTox_RID_78942; DSSTox_GSID_32416; SCHEMBL241791; SCHEMBL8008580; CHEMBL3185551; DTXSID3032416; CTK7B5344; HDHLIWCXDDZUFH-UHFFFAOYSA-N; ZINC900555; KS-000015TU; Tox21_302267; AKOS025310885; TRA0008296; ACM28159980; NCGC00255369-01; R872; CAS-28159-98-0; DB-029303; Irgarol 1051 10 microg/mL in Cyclohexane; LS-155248; TC-171577; FT-0670416; I0842; C10927; Irgarol(R), PESTANAL(R), analytical standard; 159C980; Q1147281; 2-methylthio-4-t-butylamino-6-cyclopropylamino-s-triazine; N2-tert-butyl-N4-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C11H19N5S",
"molecular_weight": "253.37",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "91590",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01867",
"RC02488",
"RC03109"
]
},
{
"compound_ID": "D0861",
"name": "cyclododecanol",
"synonyms": "CYCLODODECANOL; 1724-39-6; UNII-0Z645Y4JTS; 0Z645Y4JTS; SFVWPXMPRCIVOK-UHFFFAOYSA-N; Cyclododecanol, 98+%; DSSTox_CID_7429; DSSTox_RID_78451; DSSTox_GSID_27429; C12H24O; CAS-1724-39-6; HSDB 5850; hydroxycyclododecane; EINECS 217-031-2; NSC524960; NSC 524960; ACMC-1BPRZ; EC 217-031-2; SCHEMBL50090; CHEMBL1872732; DTXSID1027429; CTK0I0111; ZINC3860295; Tox21_201801; Tox21_303196; ANW-22579; BBL011664; MFCD00003717; SBB060734; STK725113; AKOS005536870; MCULE-4246723921; NSC-524960; NCGC00164257-01; NCGC00164257-02; NCGC00257204-01; NCGC00259350-01; AS-44254; DB-043900; LS-191394; TC-111324; FT-0633797; ST50330592; T7462; Q2648566; W-109122; F0001-0625;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H24O",
"molecular_weight": "184.32",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "15595",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01868",
"RC02489",
"RC03110"
]
},
{
"compound_ID": "D0862",
"name": "cyhalothrin",
"synonyms": "CYHALOTHRIN; 68085-85-8; Cyhalothrine; Grenade; lambda-Cyhalothrin; PP 563; ICI 146814; Scimitar; Saber; CHEBI:4035; ZXQYGBMAQZUVMI-UNOMPAQXSA-N; Cyhalothrin (BAN); Cyhalothrin [BAN]; PP-563; Cyhalothrin [BSI:ISO]; Cyhalothrine [ISO-French]; [cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate; 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester; W-111325; alpha-Cyhalothrin; HSDB 6791; EINECS 268-450-2; EPA Pesticide Chemical Code 128867; 91465-08-6; Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester; cyano(3-phenoxyphenyl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate; (1alpha,3alpha(Z))-(+-)-Cyano-(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate; (RS)-alpha-Cyano-3-phenoxybenzyl (Z)-(1RS,3RS)-(2-chloro-3,3,3- trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyan(3-phenoxyphenyl)methyl ester; alpha-Cyano-3-phenoxybenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate; Ici-pp 563; SCHEMBL23923; Coopertix [veterinary] (TN); Cyhalothrin, analytical standard; CHEMBL2105498; DTXSID6023997; (RS)-alpha-Cyano-3-phenoxybenzyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; SB18909; NCGC00248527-01; AS-15902; 527-EP2274983A1; 527-EP2275422A1; 527-EP2280009A1; 527-EP2292608A1; 527-EP2308857A1; 527-EP2308858A1; 527-EP2311816A1; 527-EP2311817A1; 527-EP2314583A1; 538-EP2308857A1; C10983; D07762; 085C858; Q421593; Cyhalothrin solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; (Z)-cyano(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate; .alpha-cyano-3-phenoxybenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2- dimethyl cyclopropanecarboxylate; 3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcycloproanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester; 3-[(Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylic acid alpha-cyano-3-phenoxybenzyl ester; Cyano(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H19ClF3NO3",
"molecular_weight": "449.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5281873",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001"
],
"function": [
"F0108",
"F020103"
],
"references": [
"RC01382",
"RC01869",
"RC02490",
"RC03111"
]
},
{
"compound_ID": "D0863",
"name": "d&c yellow 11",
"synonyms": "Quinoline Yellow; Quinophthalone; Solvent yellow 33; 8003-22-3; 11641 Yellow; Erio Chinoline Yellow 4G; 2-(2-Quinolyl)-1,3-indandione; D&C Yellow No. 11; 2-(2-Quinolyl)-1,3-indanedione; 83-08-9; Quinoline Yellow 2SF; D & C Yellow no. 11; D and C Yellow No. 11; Petrol Yellow C; Arlosol Yellow S; Oil Yellow SIS; Waxoline Yellow T; C.I. SOLVENT YELLOW 33; Quinoline Yellow SS; Solvant Yellow 33; 2-quinolin-2-ylindene-1,3-dione; Chinoline Yellow ZSS; Quinoline Yellow Base; Yellow 204; Nitro Fast Yellow SL; D&C Yellow 11; 2-(2-Quinolyl)-1H-indene-1,3(2H)-dione; D&C Yellow No 11; D & C Yellow 11; 2-(2-Quinolinyl)-1H-indene-1,3(2H)-dione; UNII-44F3HYL954; 2-(quinolin-2-yl)-1H-indene-1,3(2H)-dione; D.C. Yellow Dye No. 11; Quinoline yellow spirit soluble; CCRIS 1448; CHEBI:53700; D and C Yellow 11; Quinoline Yellow A Spirit Soluble; Chinoline Yellow D sol. in spirits; EINECS 232-318-2; NSC 18950; 1H-Indene-1,3(2H)-dione, 2-(2-quinolinyl)-; CI 47000; IZMJMCDDWKSTTK-UHFFFAOYSA-N; 44F3HYL954; Quinoline Yellow (C.I. 47000); 2-quinolin-2-yl-1H-indene-1,3(2H)-dione; W-109300; 1H-Indene-1, 2-(2-quinolinyl)-; 1,3-Isobenzofurandione, reaction products with dimethylquinoline and methylquinoline; C.I. 4700; Chinophthalon; spirit soluble; HSDB 8052; quinoline yellow a; EINECS 201-453-9; quinol ine yellow ss; D&C Yellow No.11; C.I. 47000; DSSTox_CID_4906; Epitope ID:116214; DSSTox_RID_77574; Quinoline Yellow, 95.0%; DSSTox_GSID_24906; SCHEMBL42716; C.I. Solvent Y ellow 33; MLS000037978; Quinophthalone (VAN) (8CI); CHEMBL1486465; Quinoline yellow, spirit soluble; BDBM32227; cid_5355280; CTK8G2712; DTXSID00873130; NSC3047; NSC7503; 2-(2-Quinolyl)indan-1,3-dione; HMS2417K18; NSC-3047; NSC-7503; NSC18950; 2-(1,3-dioxoindan-2-yl)quinoline; 2-(2-quinolyl)indane-1,3-quinone; Tox21_202504; BBL027785; GT7040; MFCD00011593; NSC-18950; STK367449; chinoline yellow d (sol. in spirits); Quinoline Yellow, Dye content 95 %; 1,3-isobenzofurandione, reaction products with methylquinoline and quinoline; AKOS000282972; ZINC100048800; CCG-103550; LS-1801; MCULE-9690302714; 2-((2'-Quinolinyl)-1,3-indandione); NCGC00020851-01; NCGC00020851-02; NCGC00020851-03; NCGC00020851-04; NCGC00020851-05; NCGC00020851-06; NCGC00020851-07; NCGC00020851-08; NCGC00020851-09; NCGC00020851-10; NCGC00021766-02; NCGC00021766-03; NCGC00021766-04; NCGC00021766-05; NCGC00260053-01; AS-13999; Quinoline Yellow 2SF, analytical standard; SMR000035456; T855; CAS-8003-22-3; FT-0674285; ST50308384; 2-(1H-quinolin-2-ylidene)indene-1,3-dione; 2-(1H-quinolin-2-ylidene)indane-1,3-quinone; SR-01000002715; Q7272330; SR-01000002715-2; 2-(2-quinolyl)-2-hydrocyclopenta[1,2-a]benzene-1,3-dione;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H11NO2",
"molecular_weight": "273.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6731",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01870",
"RC02491",
"RC03112"
]
},
{
"compound_ID": "D0864",
"name": "danthron",
"synonyms": "danthron; 1,8-Dihydroxyanthraquinone; 117-10-2; Chrysazin; Dantron; Antrapurol; Laxanthreen; Diaquone; Istizin; Laxanorm; Laxipurin; Zwitsalax; Dionone; Dorbane; Altan; 1,8-Dihydroxyanthracene-9,10-dione; Danivac; Duolax; Laxipur; Modane; Prugol; Roydan; 1,8-Dihydroxy-9,10-anthraquinone; 1,8-Dihydroxyanthrachinon; Usaf nd-59; Dioxyanthrachinonum; 9,10-Anthracenedione, 1,8-dihydroxy-; danthrone; Chrysazine; Dantrone; Dorbanex; Pastomin; Bancon; Istan; Neokutin S; Scatron D; 1,8-Dihydroxyanthra-9,10-quinone; 1,8-Dihydroxy-9,10-anthracenedione; Criasazin; Dantrona; Dantronum; LTAN; Dantrone [INN-French]; Dantronum [INN-Latin]; Dantrona [INN-Spanish]; 1,4,5,8-Tetroxyantraquinone; Laxapur; Anthraquinone, 1,8-dihydroxy-; 1,8-Dihydroanthraquinone; UNII-Z4XE6IBF3V; 1,8-Dihydroxyanthrachinon [Czech]; 1,8-dihydroxy-anthraquinone; NSC 38626; NSC 646568; CCRIS 3529; 1,8-dioxyanthraquinone; NSC7210; EINECS 204-173-5; Z4XE6IBF3V; CHEMBL53418; AI3-38117; CHEBI:3682; QBPFLULOKWLNNW-UHFFFAOYSA-N; component of Doxan; component of Modane; 1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione; Dantron (INN); Dantron [INN]; component of Doxidan; MFCD00001211; NSC646568; component of Dorbantyl; 1,10-Anthracenedione, 8,9-dihydroxy-; NCGC00091367-01; NCGC00091367-05; AK208660; 9, 1,8-dihydroxy-; DSSTox_CID_328; Anthraquinone,8-dihydroxy-; DSSTox_RID_75516; DSSTox_GSID_20328; W-108572; 1,8-Dihydroxyanthraquinone, 95%; WLN: L C666 BV IVJ DQ NQ; Danthron [BAN]; Danthron [USP]; 140861-59-2; CAS-117-10-2; dianthon; Istizine; danthro-lax; HSDB 7764; 3nsq; Danthron, BAN; Dantron, INN; Dantron (Chrysazin; Chrysazine; Danthron; ACMC-20mzuc; dihydroxyanthraquino ne; Dorbanex (Salt/Mix); Dorbantyl (Salt/Mix); Spectrum_001750; dihyanthraquin_P41_LT; Spectrum2_000603; Spectrum3_000650; Spectrum4_001682; Spectrum5_000324; dihyanthraquin_P21/n_LT; NCIMech_000114; dihyanthraquin_P41212_RT; 1,8 Dihydroxy Anthraquinone; SCHEMBL83688; Anthraquinone-related compound; BSPBio_002259; KBioGR_001944; KBioSS_002230; SPECTRUM211468; KSC490O1T; MLS000069608; Pilules Vinchy N.F. (TN); ARONIS23892; DivK1c_000284; SPBio_000506; MEGxp0_001693; DTXSID9020328; ACon1_000135; BDBM11316; CTK0F1106; CTK3J0719; HMS500O06; KBio1_000284; KBio2_002230; KBio2_004798; KBio2_007366; KBio3_001479; BBC/171; 1,8-Dihydroxyanthraquinone ,(S); dihyanthraquin_P41_LT-Polymorph5; dihyanthraquin_P41_RT-Polymorph1; NINDS_000284; 1,8-Dihydroxyanthraquinone, 96%; HMS2091A09; HMS3715F08; Pharmakon1600-00211468; 8,9-dihydroxy-1,10-anthraquinone; BCP31079; HY-B0923; NSC-7210; NSC38626; ZINC3860369; ZX-AS004388; ZX-AT013456; Tox21_111122; Tox21_200986; ANW-17004; BBL013161; CCG-35470; LS-587; NSC-38626; NSC755828; s4561; SBB057973; STK238373; AKOS001583216; Tox21_111122_1; 1,8-Dihydroxyanthra-9,10-quinone #; CS-4392; DB04816; HS-1003; MCULE-5800615690; NSC-646568; NSC-755828; OR61434; RTR-003068; IDI1_000284; KS-00000W95; NCGC00091367-02; NCGC00091367-03; NCGC00091367-04; NCGC00091367-06; NCGC00091367-07; NCGC00258539-01; 1,8-bis(oxidanyl)anthracene-9,10-dione; NCI60_041443; R229; SMR000059018; SY011288; SBI-0051330.P003; 1,8-Dihydroxy-9,10-anthracenedione, 9CI; AB1006759; TR-003068; D0563; EU-0099935; FT-0624445; ST50330603; C10312; D07107; 1,8-Dihydroxyanthracene-9,10-dione (Danthron); AB00051961_09; Danthron (1,8-Dihydroxyanthracene-9,10-dione); A803710; SR-01000721864; Q5221244; SR-01000721864-2; BRD-K10065684-001-02-5; BRD-K10065684-001-03-3; BRD-K10065684-001-06-6; 1,8-Dihydroxyanthraquinone, Vetec(TM) reagent grade, 96%; Dantron; Chrysazin;1,8-Dihydroxyanthraquinone;1,4,5,8-tetroxyantraquinone; InChI=1/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H8O4",
"molecular_weight": "240.21",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "2950",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01871",
"RC02492",
"RC03113"
]
},
{
"compound_ID": "D0865",
"name": "dantrolene sodium",
"synonyms": "DANTROLENE SODIUM; Dantrolene sodium salt; 14663-23-1; Dantrolene, Sodium Salt; Dantrolene (sodium); Dantrium; UNII-28F0G1E0VF; Dantamacrin; Dantrix; Dantrolene Sodium (anhydrous); Dantrolene sodium [USAN:BAN:JAN]; EINECS 238-706-8; Dantrolene sodium anhydrous; Sodium dantrolene; 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin sodium; 28F0G1E0VF; Ryanodex; F 440; Dantrolene sodium hemiheptahydrate; 2,4-Imidazolidinedione, 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-, sodium salt; 24868-20-0; Dantrolene Sodium Hydrate; F-440; Hydantoin, 1-((5-(p-nitrophenyl)furfurylidene)amino)-, sodium salt; 1-((5-(4-Nitrophenyl)furfurylidene)amino)imidazolidine-2,4-dione, sodium salt; SMR000326766; 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin sodium salt hydrate; CHEBI:4318; Hydantoin, 1-((5-(p-nitrophenyl)furfurylidene)amino)-, sodium salt, hydrate (2:7); 2,4-Imidazolidinedione, 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-, sodium salt, hydrate (2:7); anhydrous dantrolene sodium; CHEMBL928; C14H9N4O5.Na; MLS000859905; MLS002153441; 2C14H9N4O5.2Na; HMS502M20; sodium 3-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)-2,5-dioxoimidazolidin-1-ide; HMS1568L04; HMS2092N12; HMS2095L04; HMS3261E10; HMS3266G14; HMS3411A14; HMS3675A14; HMS3712L04; 2C14H9N4O5.2Na.7H2O; CCG-40324; MFCD00079130; AKOS015895197; AKOS015895198; Dantrolene sodium salt hemiheptahydrate; CCG-220291; CS-5234; NCGC00093847-01; CPD000326766; HY-14657; LS-76265; SAM002703135; AB0011237; LS-174074; B6329; D3996; EU-0100424; C07933; 1-[5-(4-Nitrophenyl)furfurylideneamino]hydantoin Sodium Salt; 1-[(5--(p-Nitro-phenyl)-fur-furyl-idene)-amino]-hydan-toin sodium salt; 1-[[[5-(4-Nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolinedione sodium salt; 1-[[[5-(4-Nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidinedione Sodium Salt Hemiheptahydrate; 2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-, sodium salt, hydrate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H9N4NaO5",
"molecular_weight": "336.23",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6604100",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01872",
"RC02493",
"RC03114"
]
},
{
"compound_ID": "D0866",
"name": "darbufelone mesylate",
"synonyms": "Darbufelone mesylate; CI-1004; 139340-56-0; CI 1004; UNII-5I2Y40C5PX; 5I2Y40C5PX; CHEMBL109745; (Z)-2-Amino-5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-4(5H)-thiazolone monomethanesulfonate (salt); 5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate; 5-((Z)-3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-imino-4-thiazolidinone monomethanesulfonate (salt); CI-1004 mesylate; DSSTox_CID_27246; DSSTox_RID_82207; Darbufelone mesylate (USAN); DSSTox_GSID_47246; SCHEMBL2683037; BCP23976; Tox21_300202; NCGC00254170-01; LS-186107; CAS-139340-56-0; D03652; 340D560; PD-136095-0073;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H28N2O5S2",
"molecular_weight": "428.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6439420",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01873",
"RC02494",
"RC03115"
]
},
{
"compound_ID": "D0867",
"name": "deltamethrin",
"synonyms": "deltamethrin; Decamethrin; Decamethrine; Butox; Decis; DeltaGard; K-Othrin; 52918-63-5; Deltamethrine; Crackdown; Deltagran; Esbecythrin; Cislin; Suspend; Zorcis; New Musigie; K-Othrine; K-Obiol; Phagase 1; Nrdc 161; Glossinex 200; Deltacide; Stricker; Butoss; Zodiac; Decis 0.5ULV; Decis 1.5ULV; Decis 2.5ULV; Deltametryna [Polish]; Dekametrin (Hungarian); Deltamethrin [BSI:ISO]; Deltamethrine [ISO-French]; UNII-2JTS8R821G; CCRIS 3704; HSDB 6604; RUP 987; IPO 8831; OMS 1988; EINECS 258-256-6; FMC 45498; EPA Pesticide Chemical Code 978051; RU 22974; AI3-29279; 2JTS8R821G; CHEBI:4388; Deltamethrin (BAN); Deltamethrin [BAN]; (S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate; DSSTox_CID_381; DSSTox_RID_75555; Dekametrin; DSSTox_GSID_20381; (1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate; (S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate; (S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate; (S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate; 3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester; Deltamethrin, analytical standard; Deltametryna; (S)-alpha-Cyano-3-phenoxybenzyl (1R,3S)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate; (S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate; (S)-cyano[3-(phenyloxy)phenyl]methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate; [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate; alpha-Cyano-3-phenoxybenzyl (1R-(1alpha(S*),3alpha))-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate; Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1-alpha(S*),3-alpha))-; CAS-52918-63-5; Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-; Striker; Othrin; Delta-methrin; Deltamet hrin; Deltamethrin Formulations; Deltamethrin, >=98%; Scalibor [veterinary] (TN); SCHEMBL22196; CHEMBL1593566; DTXSID8020381; CTK8F9016; OWZREIFADZCYQD-NSHGMRRFSA-; ZINC1532094; Tox21_201432; Tox21_303009; AKOS015895185; API0002244; DB13600; KS-5078; LS-7298; NCGC00163904-01; NCGC00163904-02; NCGC00163904-03; NCGC00256465-01; NCGC00258983-01; Deltamethrin 10 microg/mL in Cyclohexane; Deltamethrin 100 microg/mL in Cyclohexane; 529-EP2274983A1; 529-EP2275422A1; 529-EP2280009A1; 529-EP2292608A1; 529-EP2298076A1; 529-EP2298077A1; 529-EP2301353A1; 529-EP2305031A1; 529-EP2305034A1; 529-EP2305035A1; 529-EP2305662A1; 529-EP2308857A1; 529-EP2308858A1; 529-EP2311816A1; 529-EP2311817A1; 529-EP2314583A1; D4775; C10985; D07785; Deltamethrin, PESTANAL(R), analytical standard; 918M635; A829307; Q422257; Deltamethrin, certified reference material, TraceCERT(R); [(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethy; Cyano-m-phenoxybenzyl (1R,3R)-3-(2,2-dibromovi nyl)-2,2-dimethylcyclopropanecarboxylate; Deltamethrin solution, 100 ng/muL in cyclohexane, PESTANAL(R), analytical standard; (1R,3R)-((S)-cyano(3-phenoxyphenyl)methyl) 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate; (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester; (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane carboxylic acid, (S)-alpha-cy ano-3-phenoxybenzyl ester; (1R,3R)-3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropanecarboxylic Acid (S)-alpha-Cyano-3-phenoxybenzyl Ester; (1R-(1alpha(S*),3alpha))-3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl cyclopropanecarboxylate; (s)-alpha-cyano-3-phenoxybenzyl (1r,3r)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate; (S)-I+/--cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane carboxylate; .alpha.-cyano-3-phenoxybenzyl [1R-[1.alpha.(S*),3.alpha.]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate; [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-[2,2-bis(bromanyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate; 3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester; Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(s*),3alpha))-; Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-,(S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-; InChI=1/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H19Br2NO3",
"molecular_weight": "505.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "40585",
"classification": "P",
"indications": "",
"side_effects": "",
"atc_codes": "P03BA03",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01874",
"RC02495",
"RC03116"
]
},
{
"compound_ID": "D0868",
"name": "deslanoside",
"synonyms": "deslanoside; Deacetyllanatoside C; Desacetyllanatoside C; Cedilanid-D; 17598-65-1; Desace; Deslanosidum; Ceglunat; Deslanosido; Sediranido; Lekozid; Deslanosidum C; glucodigoxin; Deslanosidum [INN-Latin]; Deslanosido [INN-Spanish]; Desacetyl-Lanatoside C; Lanatoside C, deacetyl-; UNII-YGY317RK75; EINECS 241-568-1; BRN 0078187; YGY317RK75; CHEBI:31468; Deslanatoside C; DSSTox_CID_2897; DSSTox_RID_76778; DSSTox_GSID_22897; (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide; Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-; Desacetyldigilanide C; C47H74O19; Deacetyl-lanatoside C; Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-; Desacetyl Lanatoside; Cedilanid-d (TN); CAS-17598-65-1; Cedilanide; Deslanoside [USP:INN:BAN:JAN]; NCGC00159441-02; Deslanoside [USAN:BAN:INN:JAN]; CHEMBL1614; 3beta-(O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-beta-D-digitoxosyloxy-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolid; 4-18-00-02455 (Beilstein Handbook Reference); SCHEMBL125311; GTPL6806; Deslanoside (JP17/USP/INN); DTXSID1022897; OBATZBGFDSVCJD-LALPQLPRSA-N; HY-A0154; Tox21_111671; 8100AH; Tox21_111671_1; ZINC253668332; DB01078; NCGC00159441-03; 3-[(O-beta-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide; 3beta-(O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-O-beta-D-digitoxosyl-(1-4)-beta-D-digitoxosyloxy=12beta.14=dihydroxy-5beta,14beta-card-20(22)-enolid; 3beta-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12beta,14-dihydroxy-5beta-card-20(22)-enolide; LS-87553; CS-0017480; D01240; 598D651; Q5264583; (3beta,5beta,12beta)-3-{[beta-D-glucopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide; 3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-3beta,5beta,12beta-card-20(22)-enolide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C47H74O19",
"molecular_weight": "943.1",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "0.2",
"half_life": "36 hours",
"absorption": "Little absorption from the gastrointestinal tract (40%).",
"cid": "28620",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01AA07",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01875",
"RC02496",
"RC03117"
]
},
{
"compound_ID": "D0869",
"name": "desogestrel",
"synonyms": "DESOGESTREL; 54024-22-5; Cerazette; desogen; Desogestrelum; Org-2969; Desogestrelum [INN-Latin]; ORG 2969; 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol; UNII-81K9V7M3A3; HSDB 3593; EINECS 258-929-4; CHEBI:4453; C22H30O; 81K9V7M3A3; (8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol; NCGC00167449-01; 18,19-Dinorpregn-4-en-20-yn-17-ol, 13-ethyl-11-methylene-, (17alpha)-; 13-ethyl-11-methylene-18,19-dinorpregn-4-en-20-yn-17alpha-ol; Desogestrel [USAN:BAN:INN]; SR-01000883959; Desogestrel (USAN/INN); Desogestrel [USAN:INN:BAN]; 13-Ethyl-11-methylene-18,19-dinor-17 alpha-pregn-4-en-20-yn-17-ol; DSSTox_CID_2898; CHEMBL1533; DSSTox_RID_76779; DSSTox_GSID_22898; SCHEMBL41341; GTPL7065; DTXSID6022898; CTK8F9084; RPLCPCMSCLEKRS-BPIQYHPVSA-N; 17alpha-ethynyl-11-methylidene-18a-homo-estr-4-en-17beta-ol; BCP18794; ZINC4097416; Tox21_112453; AC-308; BDBM50423510; LMST02030104; s4638; (17alpha)-13-Ethyl-11-methylene-18,19-dinorpregn-4-en-20-yn-17-ol; AKOS015963198; ACN-037024; CS-3686; DB00304; VA10694; AS-13022; CC-26355; HY-12516; LS-62079; SC-16229; CAS-54024-22-5; B4976; D4163; FT-0640213; C07629; D02367; Desogestrel, VETRANAL(TM), analytical standard; 024D225; C-19240; Q415304; J-520217; SR-01000883959-1; SR-01000883959-2; 17alpha-ethynyl-13beta-ethyl-11-methylene-4-gonen-17-ol; Desogestrel, British Pharmacopoeia (BP) Reference Standard; Desogestrel, European Pharmacopoeia (EP) Reference Standard; Desogestrel, United States Pharmacopeia (USP) Reference Standard; Desogestrel, Pharmaceutical Secondary Standard; Certified Reference Material; 18,19-Dinorpregn-4-en-20-yn-17-ol, 13-ethyl-11-methylene-, (17-alpha)-; Desogestrel for system suitability, European Pharmacopoeia (EP) Reference Standard;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C22H30O",
"molecular_weight": "310.5",
"state": "solid",
"clearance": "The metabolic clearance rate of desogestrel is reported to be of about 2 ml/min/kg.[F4127]",
"volume_of_distribution": "The apparent volume of distribution of desogestrel is of 1.5 L/kg.[F4127]",
"route_of_elimination": "The elimination of desogestrel is found to be mainly renal corresponding to about 6 times the dose eliminated in the bile.[F4127] The elimination of desogestrel is only done as the metabolites and not as the unchanged drug and about 85% of the administered dose can be excreted as metabolites after 6-8 days.[T521]",
"protein_binding": "The main metabolite of desogestrel is mainly found bound to albumin and sex-hormone binding globulin. Around 96-98% of the administered dose of desogestrel is found bound to plasma proteins from which 40-70% is found bound to sex-hormone binding globulin.[F4127]",
"half_life": "The terminal half-life of desogestrel is determined to be of 30 hours.[F4127]",
"absorption": "After oral administration, desogestrel is rapidly absorbed and it reaches a peak concentration of 2 ng/ml after 1.5 hours. The bioavailability of desogestrel is reported to be in the range of 60-80% and the reported AUC is of 3000 ng.h/ml.[F4127] Almost all the administered dose is modified to the active metabolite, [etonogestrel].[A176423]",
"cid": "40973",
"classification": "G",
"indications": "",
"side_effects": "",
"atc_codes": "G03FB10; G03AC09; G03AB05; G03AA09",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01876",
"RC02497",
"RC03118"
]
},
{
"compound_ID": "D0870",
"name": "devazepide",
"synonyms": "DEVAZEPIDE; 103420-77-5; MK-329; Devazepidum; Devazepida; MK 329; L-364,718; UNII-JE6P7QY7NH; L 364718; (S)-N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)indole-2-carboxamide; JE6P7QY7NH; CHEMBL9506; CHEBI:4460; L-364718; 3(S)-(-)-1,3-Dihydro-3-(2-indolecarbonylamino)-1-methyl-5-phenyl-2H-(1,4)benzodiazepin-2-one; NCGC00159551-01; Devazepide [USAN:INN]; Devazepidum [INN-Latin]; Devazepida [INN-Spanish]; DSSTox_CID_26092; DSSTox_RID_81331; DSSTox_GSID_46092; N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide; CAS-103420-77-5; Devacade; 1H-Indole-2-carboxamide, N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-, (S)-; L 364,718; Devazepide (USAN/INN); CCK antagonist synthetic 17; CCK antagonist synthetic 18; SCHEMBL148766; DTXSID2046092; CTK8E9810; NFHRQQKPEBFUJK-HSZRJFAPSA-N; HMS3268J20; 1H-Indole-2-carboxamide, N-[(3S)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-;1H-Indole-2-carboxamide, N-[(3S)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-; 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide; ZINC1847292; Tox21_111744; BDBM50005463; BN0761; MFCD00864500; PDSP1_000936; PDSP2_000922; AKOS024457038; Devazepide, >=98% (HPLC), powder; Tox21_111744_1; NCGC00159551-02; CC-26364; HY-106301; RT-012291; B7008; CS-0025544; FT-0603101; C11710; D02693; C-21869; J-000963; Q5266620; BRD-K31238592-001-01-6; (R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O; (S)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide; (S)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide; (S,Z)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide; (Z)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide; 1H-Indole-2-carboxylic acid ((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide; 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (L-364,718 ((S)-devazepide); 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (MK-329, L-364,718); 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(Devazepide or (R) L364718); 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(devazepide); 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(L-364718); 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O. 0.15CH2Cl2; N-[(3S)-2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C25H20N4O2",
"molecular_weight": "408.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "443375",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01877",
"RC02498",
"RC03119"
]
},
{
"compound_ID": "D0871",
"name": "dexamethasone valerate",
"synonyms": "Dexamethasone valerate; 33755-46-3; Dexamethasone 17-valerate; DV-17; UNII-OI7CP949NN; EINECS 251-669-2; OI7CP949NN; Dexamethasone valerate [JAN]; 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17-valerate; NCGC00159316-02; DSSTox_CID_2904; DSSTox_RID_76782; DSSTox_GSID_22904; Dexamethasone valerate (JAN); Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 17-valerate; CAS-33755-46-3; NCGC00274064-01; Betamethasone Valerate EP Impurity C; Dexamethasone Valarate; Voalla ointment (TN); SCHEMBL124723; CHEMBL1378167; DTXSID3022904; CHEBI:135770; ZINC3882051; Tox21_111565; AKOS032429285; Tox21_111565_1; MCULE-1282205271; LS-118480; D01948; Q27285667; 9-fluoro-11ss,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17-valerate; 9-Fluoro-11?,21-dihydroxy-16?-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate ;DV 17; Dexamethasone 17-valerate; 9-Fluoro-11?,17,21-trihydroxy-16?-methyl-pregna-1,4-diene-3,20-dione 17-Valerate; Betamethasone Valerate EP Impurity C;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C27H37FO6",
"molecular_weight": "476.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "63047",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC01878",
"RC02499",
"RC03120",
"RC04050",
"RC04174",
"RC04298",
"RC04422",
"RC04546"
]
},
{
"compound_ID": "D0872",
"name": "dexamethazone metasulfobenzoate sodium",
"synonyms": "Dexapos; Dexamethazone metasulfobenzoate sodium; Sisotek; dexamethasone metasulfobenzoate sodium; Dexamethasone sodium-m-sulfobenzoate; 3936-02-5; Dexamethasone-21-sulphobenzoate sodium; UNII-4T1RAI19H8; 4T1RAI19H8; CHEBI:32132; EINECS 223-514-9; dexamethasone sodium metasulfobenzoate; Dexamethason 21-(3-sulfobenzoat)natrium; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta,16alpha)-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-m-sulfobenzoate, monosodium salt; Dexamethasone metasulfobenzoate sodium (JAN); Dexamethasone metasulfobenzoate sodium [JAN]; Santeson; Santeson (TN); NCGC00167571-01; DSSTox_CID_26722; DSSTox_RID_81852; DSSTox_GSID_46722; D E X T; CHEMBL3186892; DTXSID5046722; Dexamethasone Sodium Sulfobenzoate; dexamethasone sodium m-sulfobenzoate; Tox21_112565; AKOS032429365; CAS-3936-02-5; LS-118479; C12961; D01510; Q27114795; sodium 3-[(9-fluoro-11beta,17-dihydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yloxy)carbonyl]benzenesulfonate; sodium;3-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbenzenesulfonate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C29H32FNaO9S",
"molecular_weight": "598.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "23672582",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01879",
"RC02500",
"RC03121"
]
},
{
"compound_ID": "D0873",
"name": "diacerein",
"synonyms": "Diacerein; 13739-02-1; Diacetylrhein; Diacerhein; Fisiodar; Artrodar; 1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE; DIACERIN; 4,5-Diacetylrhein; Diacereine [French]; Diacereinum [Latin]; Diacereina [Spanish]; SF-277; UNII-4HU6J11EL5; 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid; C19H12O8; EINECS 237-310-2; BRN 2184909; MLS000028577; 4HU6J11EL5; 1,8-Diacetoxyanthraquinone-3-carboxylic acid; M01AX21; 2-Anthracenecarboxylic acid, 4,5-bis(acetyloxy)-9,10-dihydro-9,10-dioxo-; AC-201; 4,5-diacetyloxy-9,10-dioxo-2-anthracenecarboxylic acid; NCGC00018274-04; AK468692; SMR000058958; 4,5-Diacetoxy-9,10-dihydro-9,10-dioxo-2-anthrylcarbonsaeure; 9,10-Dihydro-4,5-diacetoxy-9,10-2-anthracenecarboxylic acid; 4,5-diacetoxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid diacetate; DSSTox_CID_25636; DSSTox_RID_81017; DSSTox_GSID_45636; W-108237; 4,5-diacetoxy-9,10-diketo-anthracene-2-carboxylic acid; Diacereina; Diacereine; Diacereinum; 4,5-diacetyloxy-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid, diacetate; 2-ANTHROIC ACID, 9,10-DIHYDRO-4,5-DIHYDROXY-9,10-DIOXO-, DIACETATE; Diacerein [INN]; CAS-13739-02-1; SR-01000003156; Rhein, diacetate (6CI); Gesamtmatrix; Rhein diacetate; ART 50; 4,5-bis(acetyloxy)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid; Rhein, diacetate; Zondar (TN); Spectrum_001876; SpecPlus_000643; Diacerein (USAN/INN); Diacerein [USAN:INN]; Spectrum2_000823; Spectrum3_000937; Spectrum4_001036; Spectrum5_001819; 4,5-Diacetoxyanthraquinone-2-carboxylic Acid; SCHEMBL25784; KBioGR_001591; KBioSS_002400; 3-10-00-04790 (Beilstein Handbook Reference); cid_26248; CHEMBL41286; DivK1c_006739; SPECTRUM1502010; SPBio_000745; Diacerein, >=95% (HPLC); DTXSID4045636; BDBM32018; CHEBI:94708; KBio1_001683; KBio2_002395; KBio2_004963; KBio2_007531; KBio3_001974; TYNLGDBUJLVSMA-UHFFFAOYSA-N; HMS3652D06; HMS3714B20; Pharmakon1600-01502010; BCP10834; HY-N0283; M-01AX21; WHO 5371; ZINC3812842; Tox21_110856; BBL011075; CCG-40287; CD0145; MFCD00468030; NSC758147; s4267; STK802271; AKOS005622705; Tox21_110856_1; API0024493; CS-2880; DB11994; KS-5088; KW-4800; MCULE-3526700960; NSC-758147; KS-00000L24; NCGC00018274-01; NCGC00018274-02; NCGC00018274-03; NCGC00018274-05; NCGC00022114-03; AM807992; CC-26418; LS-20737; SC-45485; SBI-0052833.P002; AB0012779; B1726; D4061; FT-0603096; SW199355-2; D07270; K-4431; AB00053327_14; 739D021; A807252; C-21076; Q413178; SR-01000003156-2; SR-01000003156-3; SR-01000003156-4; Diacerein, European Pharmacopoeia (EP) Reference Standard; 4,5-diacetoxy-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid; 4,5-bis(acetoxy)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid; 2-Anthracenecarboxylic acid, 4,5-bis(acetyloxy)-9,10-dihydro-9,10-dioxo- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H12O8",
"molecular_weight": "368.3",
"state": "",
"clearance": "Total CL is 1.5L/h and renal CL is 0.1L/h [A19300].",
"volume_of_distribution": "15-60L [A19300].",
"route_of_elimination": "37% excreted in urine and 53% in feces as estimated in rats [A19250].",
"protein_binding": "99% of rhein is bound to plasma proteins [A19300].",
"half_life": "4-10h [A19300].",
"absorption": "Bioavailability of 50-60% [A19300]. Entirely converted to the active metabolite rhein [DB13174] before reaching systemic circulation.",
"cid": "26248",
"classification": "M",
"indications": "",
"side_effects": "",
"atc_codes": "M01AX21",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01880",
"RC02501",
"RC03122"
]
},
{
"compound_ID": "D0874",
"name": "dianiline",
"synonyms": "Dinaline; Dinalin; Dianiline; 58338-59-3; Dinaline [French]; Dinalinum [Latin]; Dinaline [INN]; Dinalina [Spanish]; 4-Amino-N-(2-aminophenyl)benzamide; NSC-328786; 2',4-Diaminobenzanilide; UNII-RG9G4Z82PY; 4-Amino-N-(2-amino-phenyl)-benzamide; CCRIS 4383; p-Aminobenzoyl-o-phenylenediamine; GOE 1734; BENZAMIDE, 4-AMINO-N-(2-AMINOPHENYL)-; NSC328786; 4-Amino-N-(2'-aminophenyl)benzamide; NSC 328786; BRN 0653440; RG9G4Z82PY; Goe-1734; MLS001209873; NCGC00160373-01; SMR000504768; DSSTox_CID_26114; DSSTox_RID_81350; DSSTox_GSID_46114; C13H13N3O; Dinalina; Dinalinum; Dinalin [INN]; CAS-58338-59-3; SR-01000357428; AAPBA; NCIMech_000549; Oprea1_155945; Oprea1_500351; SCHEMBL93636; cid_42725; ZINC1310; CHEMBL1351761; DTXSID3046114; QGMGHALXLXKCBD-UHFFFAOYSA-N; BDBM115054; HMS2830B20; 4-aminobenzoyl-1,2-phenylenediamine; Tox21_111769; CCG-35683; AKOS000634932; N-(2-aminophenyl)-4-azanyl-benzamide; Tox21_111769_1; MCULE-2929381524; NCGC00160373-02; LS-25346; NCI60_002863; PD 104208; PD-104208; PD 104 208; SR-01000357428-1; SR-01000357428-3; Q27288108;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H13N3O",
"molecular_weight": "227.26",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "42725",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01881",
"RC02502",
"RC03123"
]
},
{
"compound_ID": "D0875",
"name": "dibutyltin dilaurate",
"synonyms": "dibutyltindilaurate; dibutyl tin laurate; DBTDL; di-butyltin dilaurate; dibutyl-tin dilaurate; Di-n-butyldilauryltin; di-n-butyl tin dilaurate; ACMC-1BH4P; SCHEMBL35315; KSC377A9B; CTK2H7090; KS-00000V6C; ANW-37061; AKOS015909826; RTR-024785; SC-18233; TR-024785; D0303;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C32H64O4Sn",
"molecular_weight": "631.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9809426",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01882",
"RC02503",
"RC03124"
]
},
{
"compound_ID": "D0876",
"name": "dichlofluanid",
"synonyms": "DICHLOFLUANID; 1085-98-9; Dichlofluanide; Elvaron; Euparen; Euparene; Oiparen; Pecudin; Eparen; Dichlorfluanid; Bayer 47531; Diparen; BAY 47531; KUE 13032c; KU 13-O32-C; Caswell No. 297A; Dichlorfluanid [Czech]; NSC 218451; Dichlofluanid [BSI:ISO]; Dichlofluanide [ISO-French]; N-Dichloroacetyl-N-phenylsemicarbazide; UNII-76A92XU36Y; CCRIS 3647; HSDB 1565; EINECS 214-118-7; N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline; EPA Pesticide Chemical Code 128844; BRN 2947992; KU 13-032-C; 1,1-Dichloro-N-((dimethylamino)sulfonyl)-1-fluoro-N-phenylmethanesulfenamide; N-(Dichlorofluoromethylthio)-N-(dimethylsulfamoyl)-aniline; N,N-Dimethyl-N'-phenyl-N'-fluorodichloromethylthiosulfamide; CHEBI:74875; N-(Dichlorofluoromethylthio)-N',N'-dimethyl-N-phenylsulfamide; 76A92XU36Y; Aniline, N-((dichlorofluoromethyl)thio)-N-((dimethylamino)sulfonyl)-; Methanesulfenamide, 1,1-dichloro-N-[(dimethylamino)sulfonyl]-1-fluoro-N-phenyl-; N-(Dichlor-fluor-methyl-thio)-N',N'-dimethyl-N-phenyl-schwefel-saeurediamid; N-Dichlorofluoromethylthio-N',N'-dimethyl-N-phenylsulphamide; N-Dichlorofluoromethanesulphenyl-N',N'-dimethyl-N-phenylsulphamide; Sulfamide, N-((dichlorofluoromethyl)thio)-N',N'-dimethyl-N-phenyl-; N-Dichlorfluormethylthio-N',N'-dimethylaminosulfonsaeureanilid [German]; 1,1-Dichloro-N-((dimethylamino)sulfonyl)-1-fluoro-N-phenylmethane sulfenamide; Methanesulfenamide, 1,1-dichloro-N-((dimethylamino)sulfonyl)-1-fluoro-N-phenyl-; N-(Dichlor-fluor-methyl-thio)-N',N'-dimethyl-N-phenyl-schwefel-saeurediamid [German]; Sulfamide, N-[(dichlorofluoromethyl)thio]-N',N'-dimethyl-N-phenyl-; 1,1-Dichloro-N-[(dimethylamino)sulfonyl]-1-fluoro-N-phenylmethanesulfenamide; Diclofluanide; N,N-Dimethyl-N'-phenyl-N'-((fluorodichloromethyl)thio)sulfamide; N,N-Dimethyl-N'-phenyl-N'-[(fluorodichloromethyl)thio]sulfamide; N-((Dichlorofluoromethyl)thio)-N',N'-dimethyl-N-phenylsulfamide; N-[(Dichlorofluoromethyl)thio]-N',N'-dimethyl-N-phenylsulfamide; Aniline, N-[(dichlorofluoromethyl)thio]-N-[(dimethylamino)sulfonyl]-; Eparen; Euparen; Euparene; DSSTox_CID_21851; DSSTox_RID_79858; DSSTox_GSID_41851; SCHEMBL20684; WLN: GXGFSNR&SWN1&1; CHEMBL1269177; DTXSID5041851; Sulfamide,N'-dimethyl-N-phenyl-; WURGXGVFSMYFCG-UHFFFAOYSA-; WURGXGVFSMYFCG-UHFFFAOYSA-N; N-Dichlorfluormethylthio-N',N'-dimethylaminosulfonsaeureanilid; BCP28604; n-[(dichlorofluoromethyl)thio]-n',n'-dimethyl-n-phenyl-sulfamide; ZINC1755316; Tox21_300960; NSC218451; AKOS015888203; NSC-218451; NCGC00248229-01; NCGC00254862-01; AS-35177; CC-26530; Dichlofluanid 100 microg/mL in Isooctane; CAS-1085-98-9; DB-040835; LS-147702; TR-001973; FT-0603081; C18820; 26837-EP2274983A1; 26837-EP2275422A1; 26837-EP2305033A1; 26837-EP2305662A1; 26837-EP2308857A1; 26837-EP2314583A1; 88529-EP2298077A1; 88529-EP2301353A1; 88529-EP2305031A1; 88529-EP2305035A1; Dichlofluanid, PESTANAL(R), analytical standard; C-20107; Q421444; J-002166; N'-Dichlorofluoromethylthio-NN-dimethyl-N'-phenylsulphamide; N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)aniline; N-([Dichloro(fluoro)methyl]sulfanyl)-N',N'-dimethyl-N-phenylsulfamide #; N-(Dichlor-fluor-methyl-thio)-N',N'-dimethyl-N-phenylschwefel-saeurediamid; Dichlofluanid solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Methanesulfenamide,1-dichloro-N-[(dimethylamino)sulfonyl]-1-fluoro-N-phenyl-; N-{[dichloro(fluoro)methyl]sulfanyl}-N',N'-dimethyl-N-phenylsulfuric diamide; InChI=1/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H11Cl2FN2O2S2",
"molecular_weight": "333.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "14145",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01883",
"RC02504",
"RC03125"
]
},
{
"compound_ID": "D0877",
"name": "dichlorodiphenylsilane",
"synonyms": "DICHLORODIPHENYLSILANE; 80-10-4; Diphenyldichlorosilane; Silane, dichlorodiphenyl-; Dichloro(diphenyl)silane; Diphenylsilicon dichloride; Diphenylsilyl dichloride; Dichlor-difenylsilan; Diphenyl dichlorosilane; Dichlor-difenylsilan [Czech]; HSDB 316; UNII-08811ZE689; TSL 8062; EINECS 201-251-0; NSC 77110; UN1769; BRN 0609882; Dichlorodiphenylsilane, 97%; AI3-51461; OSXYHAQZDCICNX-UHFFFAOYSA-N; Benzene, 1,1'-(dichlorosilylene)bis-; 08811ZE689; Dichlorophenylsilane, 97%, AcroSeal(R); C12H10Cl2Si; MFCD00000489; dichlorodiphenylsilicane; dichloro-diphenyl-silane; diphenyl dichlorosilicane; diphenyl dichlorosilicate; DSSTox_CID_6494; Silane, dichloro-diphenyl-; EC 201-251-0; WLN: G-SI-GR&R; DSSTox_RID_78122; DSSTox_GSID_26494; SCHEMBL76000; 4-16-00-01526 (Beilstein Handbook Reference); KSC106K8H; ACMC-20977f; CHEMBL2144653; DTXSID2026494; NSC77110; Tox21_202552; ANW-13609; CD5950; NSC-77110; AKOS008901314; ZINC169743011; MCULE-1550969444; RTR-030944; UN 1769; CAS-80-10-4; NCGC00163994-01; NCGC00260101-01; CC-26543; M267; DB-029647; LS-145169; ST2412796; TR-030944; D0362; FT-0625257; Diphenyldichlorosilane [UN1769] [Corrosive]; Diphenyldichlorosilane [UN1769] [Corrosive]; C-27529; Q27236382; InChI=1/C12H10Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H10Cl2Si",
"molecular_weight": "253.19",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6627",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01884",
"RC02505",
"RC03126"
]
},
{
"compound_ID": "D0878",
"name": "diclazuril",
"synonyms": "DICLAZURIL; 101831-37-2; 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile; NCGC00168785-01; R-64433; Diclazurilo; Diclazurilum; Vecoxan; 2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrile; 2-(4-chlorophenyl)-2-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetonitrile; SR-05000001484; Diclazuril [USAN:USP:INN:BAN]; (4-chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]acetonitrile; 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile; Diclazuril (USAN/INN); DSSTox_CID_26787; DSSTox_RID_81905; DSSTox_GSID_46787; SCHEMBL126138; CHEMBL284733; DTXSID4046787; CHEBI:95118; ZSZFUDFOPOMEET-UHFFFAOYSA-N; HMS2089N18; HMS3655D11; HMS3715D21; Pharmakon1600-01502348; BCP12257; HY-B0357; Tox21_112645; BBL005225; BDBM50088493; GP6995; NSC759642; STL135982; AKOS005746928; CCG-213044; CS-2411; DB11398; KS-5064; MCULE-4598187571; NSC-759642; SB18820; NCGC00168785-02; AC-12108; CC-26555; SC-13717; AB0105674; AB2000434; CAS-101831-37-2; D5457; FT-0603078; SW199606-2; D03794; Diclazuril, VETRANAL(TM), analytical standard; AB01562968_01; AB01562968_02; 831D372; A800467; C-21857; J-000501; Q5273856; SR-05000001484-1; SR-05000001484-2; Diclazuril, United States Pharmacopeia (USP) Reference Standard; 2-[4-(4-chloro-alpha-cyanobenzyl)-3,5-dichlorophenyl]-1,2,4-triazine-3,5(2H,4H)-dione; Diclazuril for system suitability, European Pharmacopoeia (EP) Reference Standard; 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile; 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-benzeneacetonitrile; 2-[4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2,6-bis(chloranyl)phenyl]-2-(4-chlorophenyl)ethanenitrile;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H9Cl3N4O2",
"molecular_weight": "407.6",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "456389",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01885",
"RC02506",
"RC03127"
]
},
{
"compound_ID": "D0879",
"name": "dicofol",
"synonyms": "DICOFOL; Kelthane; 115-32-2; Acarin; Mitigan; Keltane; 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol; Dichlorokelthane; DTMC; Kelthanethanol; Cekudifol; Carbax; Milbol; CPCA; Kelthane A; Kelthane dust base; para,para'-Kelthane; Dicomite; Tricofol; Hilfol; Hilfol 18.5 ec; p,p-Dicofol; Di-(p-chlorophenyl)trichloromethylcarbinol; 1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol; 1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol; Caswell No. 093; Dicofol [BSI:ISO]; Agrothane; Decofol; Hifol; 2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol; NCI-C00486; UNII-W4WMM0WS91; FW 293; CCRIS 231; ENT 23,648; 4,4'-Dichloro-alpha-(trichloromethyl)benzhydrol; HSDB 631; EINECS 204-082-0; 4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol; BRN 1886299; W4WMM0WS91; Ethanol, 2,2,2-trichloro-1,1-bis(p-chlorophenyl)-; AI3-23648; CHEBI:34692; 1,1-Bis(chlorophenyl)-2,2,2-trichloroethanol; UOAMTSKGCBMZTC-UHFFFAOYSA-N; 1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol; 2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol; Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)-; 2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol; 2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo; Benzhydrol, 4,4'-dichloro-alpha-(trichloromethyl)-; 1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol [German]; 2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol [Dutch]; 2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol [German]; 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol [French]; 2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo [Italian]; 4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol; Benzenemethanol, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)-; 4,4'-Dichloro-.alpha.-(trichloromethyl)benzhydrol; Dicofol (kelthane); Carbox; Mifol; Fumite Dicofol; p,p'-Kelthane; p,p'-Dicofol; p,p'-Di cofol; DSSTox_CID_450; Dicofol, PESTANAL(R); DSSTox_RID_75599; 2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol; DSSTox_GSID_20450; SCHEMBL26640; 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol; BIDD:ER0014; 2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol; CHEMBL228511; DTXSID4020450; UOAMTSKGCBMZTC-UHFFFAOYSA-; Dicofol 10 microg/mL in Isooctane; ZINC2041041; Tox21_300988; Dicofol 10 microg/mL in Cyclohexane; LS-575; AKOS015903771; Dicofol 100 microg/mL in Cyclohexane; AGR0000029; NCGC00091084-01; NCGC00091084-02; NCGC00091084-03; NCGC00091084-04; NCGC00254890-01; Bis(chlorophenyl)-2,2,2-trichloroethanol; CAS-115-32-2; AB1004845; Bis(chlorophenyl)-2,2,2-trichl oroethanol; DB-041258; FT-0624733; C14301; 1,1-bis-(chlorophenyl)-2,2,2-trichloroethanol; 1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethanol; 115D322; C-21131; Q418183; 2,2,2-Trichloor-1,1-bis(4-chloor fenyl)-ethanol; 2,2,2-trichloro-1,1-bis (4-chlorophenyl)ethanol; Dicofol, certified reference material, TraceCERT(R); Ethanol,1,1-bis(p-chlorophenyl)-2,2,2-trichloro-; J-003282; 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol; Benzhydrol, 4,4'-dichloro-.alpha.-(trichloromethyl)-; Ethanol, 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-; 4-Chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)benzenemethanol; Dicofol solution, 100 mug/mL in methanol, PESTANAL(R), analytical standard; InChI=1/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H9Cl5O",
"molecular_weight": "370.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8268",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01886",
"RC02507",
"RC03128"
]
},
{
"compound_ID": "D0880",
"name": "dienestrol",
"synonyms": "dienestrol; Dehydrostilbestrol; Dienoestrol; 84-17-3; Cycladiene; (E,E)-Dienestrol; Dienol; Estraguard; Restrol; Dehydrostilboestrol; Oestrodienol; Dienesterol; Estragard; Hormofemin; Oestrovis; Willnestrol; alpha-Dienestrol; para-Dien; E,E-Dienestrol; Dienestrol (E,E); Dienoestrol bp; Estrodienol; Follidiene; Oestrodiene; 13029-44-2; Oestrasid; p,p'-(Diethylideneethylene)diphenol; Di(p-oxyphenyl)-2,4-hexadiene; Dinestrol; Estroral; Follormon; Gynefollin; Oestroral; Sexadien; Teserene; Agaldog; Dinovex; Retalon; 3,4-Bis(4-hydroxyphenyl)-2,4-hexadiene; UNII-RRW32X4U1F; MLS000069528; 3,4-Bis(p-hydroxyphenyl)-2,4-hexadiene; 4,4'-Hydroxy-gamma,delta-diphenyl-beta,delta-hexadiene; NSC 59809; Dienestrolo [DCIT]; 4,4'-(Diethylideneethylene)diphenol; 4,4'-(1,2-Diethylidene-1,2-ethanediyl)bisphenol; RRW32X4U1F; Phenol, 4,4'-(diethylideneethylene)di-; SMR000058597; 2,4-Hexadiene, 3,4-bis(4-hydroxyphenyl)-; Dienestrolum [INN-Latin]; NFDFQCUYFHCNBW-SCGPFSFSSA-N; Dienestrolo; Dienestrolum; Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-; Di(para-oxyphenyl)-2,4-hexadiene; Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, (E,E)-; DSSTox_CID_2382; DSSTox_RID_76566; DSSTox_GSID_22382; para,para'-(Diethylideneethylene)diphenol; CCRIS 9121; 3,4-Bis(para-hydroxyphenyl)-2,4-hexadiene; HSDB 3313; Phenol, 4,4'-(diethylideneethylene)di-, trans-, (E,E)-; Phenol, 4,4'-((1E,2E)-1,2-diethylidene-1,2-ethanediyl)bis-; EINECS 201-519-7; Dienoestrol [Nonsteroidal oestrogens]; Dienestrol, (E,E)-Isomer; 4,4'-Dihydroxy-gamma,delta-diphenyl-beta,delta-hexadiene; Dienestrol [INN]; 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol; 4,4'-hexa-2,4-diene-3,4-diyldiphenol; Dienestrol (USP/INN); SR-01000003032; DV; CHEBI:4518; Dienestrol [USP:INN:BAN]; DV (TN); CAS-84-17-3; Prestwick_52; NCGC00016335-01; Dienestrol(Restrol); (E,E)-4,4'-(Diethylideneethylene)diphenol; Opera_ID_421; 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol; alpha-dienestrol diacetate; Prestwick2_000798; Prestwick3_000798; Spectrum5_000875; CHEMBL1018; SCHEMBL52170; BSPBio_000936; BSPBio_002177; MLS001077274; MLS002207222; MLS002222156; SPECTRUM1500241; 4,4'-(2E,4E)-hexa-2,4-diene-3,4-diyldiphenol; BPBio1_001030; cid_667476; GTPL7160; SCHEMBL2896853; ZINC1283; BDBM40491; HMS502G13; DTXSID20873495; HMS1570O18; HMS1920G04; HMS2091M14; HMS2097O18; HMS2232M11; HMS3714O18; Pharmakon1600-01500241; HY-B1403; Tox21_110378; 2375AH; CCG-40189; NSC756734; s1858; AKOS015902490; Tox21_110378_1; CS-4911; DB00890; NSC-756734; IDI1_000771; NCGC00018153-03; NCGC00018153-04; NCGC00018153-05; NCGC00018153-06; NCGC00018153-07; NCGC00018153-10; NCGC00022210-03; NCGC00022210-04; NCGC00178779-01; NCGC00178779-02; AC-13162; SBI-0051344.P003; AB2000337; LS-104381; TR-026060; D0449; C08090; D00898; Dienestrol, VETRANAL(TM), analytical standard; AB00051967_16; J-005782; Q5274949; SR-01000003032-2; SR-01000003032-4; 4,4'-((2E,4E)-hexa-2,4-diene-3,4-diyl)diphenol; 4,4'-[(2E,4E)-2,4-Hexadiene-3,4-diyl]diphenol; BRD-K55106630-001-01-0; BRD-K95309561-001-05-6; BRD-K95309561-001-15-5; Dienestrol, European Pharmacopoeia (EP) Reference Standard; Dienestrol, United States Pharmacopeia (USP) Reference Standard; 4,4'-Dihydroxy-.gamma.,.delta.-diphenyl-.beta.,.delta.-hexadiene; Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, (E,E)- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H18O2",
"molecular_weight": "266.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "50 to 80%",
"half_life": "",
"absorption": "Systemic absorption and mode of action of dienestrol are undetermined.Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH).",
"cid": "667476",
"classification": "G",
"indications": "",
"side_effects": "",
"atc_codes": "G03CB01; G03CC02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01888",
"RC02509",
"RC03130"
]
},
{
"compound_ID": "D0881",
"name": "diethylstilbestrol dipropionate",
"synonyms": "Diethylstilbestrol dipropionate; Clinestrol; Cyren B; Estrostilben; Oestrogynaedron; Stilbestronate; Dibestil; Estilben; Estilbin; Estrogenin; Euvestin; Gynolett; Horfemine; Sinciclan; Stilbofax; Stilronate; synOestron; synTestrin; synTestrine; Vetoestrol; Willestrol; Orestol; Stilboestrol dp; Tauripar b; Pabestrol D; 130-80-3; Estrobene DP; Estroben DF; DESD; Stilbestrol propionate; Stilbestrol dipropionate; Neo-oestranol II; New-oestranol II; Diethylstilbestrol propionate; Dipropionato de estilbene; Stilbestrol, diethyl dipropionate; UNII-Y98CK3J0OL; Dihydroxydiethylstilbene dipropionate; CCRIS 241; Diethylstilboestrol dipropionate; MLS000028439; Dipropionato de estilbene [Spanish]; EINECS 204-995-4; BRN 2632126; Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate, (E)-; Y98CK3J0OL; Oroestron; SMR000058362; Diethylstilbesterol dipropionate; trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol dipropionate; p,p'-Dipropionoxy-trans-alpha,beta-diethylstilbene; alpha,alpha'-Diethyl-4,4'-stilbenediol, dipropionate; alpha,alpha'-Diethyl-4,4'-stilbenediol dipropionyl ester; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, dipropionate, trans-; Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-, dipropanoate; (3E)-hex-3-ene-3,4-diyldibenzene-4,1-diyl dipropanoate; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, dipropionate, (E)-; Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate; 37221-14-0; 4,4'-((1E)-1,2-Diethyl-1,2-ethenediyl)bisphenol; Neo-oestranol ll; New-oestranol ll; New-oestranol 11; Diethylstilbestrol dipropionate [NF]; Stilboestrol dipropionate; Opera_ID_1581; DSSTox_CID_27146; DSSTox_RID_82152; DSSTox_GSID_47146; 4-06-00-06857 (Beilstein Handbook Reference); MLS001077279; SCHEMBL151730; cid_657220; CHEMBL1525298; DTXSID7047146; Phenol,4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-, 1,1'-propanoate; BDBM40489; VZMLEMYJUIIHNF-QURGRASLSA-N; HMS2230H18; ZINC608323; Tox21_302713; [4-[(E)-4-(4-propanoyloxyphenyl)hex-3-en-3-yl]phenyl] propanoate; STK366319; AKOS003382207; NCGC00018162-03; NCGC00256886-01; CAS-130-80-3; LS-146822; C-21331; SR-01000003053; J-005878; SR-01000003053-3; Q27294402; p,p'-Dipropionoxy-trans-.alpha.,.beta.-diethylstilbene; (3E)-hex-3-ene-3,4-diylbis(4,1-phenylene) dipropanoate; .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol trans-dipropionate; .alpha.,.alpha.'-Diethyl-p,p'-stilbenediol dipropionate, (E)-; trans-.alpha.,.alpha.'-Diethyl-4,4'-stilbenediol dipropionate; .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol dipropionate, (E)-; 4,4'-Dihydroxy-.alpha.,.beta.-diethylstilbene dipropionate, (E)-; 4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, dipropionate, (E)-; .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol dipropionyl ester, (E)-; 4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, dipropionate, trans-; 4-((1E)-1-Ethyl-2-[4-(propionyloxy)phenyl]-1-butenyl)phenyl propionate #; Diethylstilbestrol dipropionate, analytical standard, for drug analysis; propanoic acid [4-[(E)-4-[4-(1-oxopropoxy)phenyl]hex-3-en-3-yl]phenyl] ester; propionic acid [4-[(E)-1-ethyl-2-(4-propionyloxyphenyl)but-1-enyl]phenyl] ester;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H28O4",
"molecular_weight": "380.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "657220",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01890",
"RC02511",
"RC03132"
]
},
{
"compound_ID": "D0882",
"name": "diflorasone diacetate",
"synonyms": "Diflorasone diacetate; 33564-31-7; Psorcon; Florone E; Apexicon e; Diflorasone di(acetate); UNII-7W2J09SCWX; EINECS 251-575-1; BRN 2318163; 7W2J09SCWX; MLS000069559; MLS001076548; CHEBI:31483; 6alpha,9-Difluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-diacetate; NCGC00022003-03; SMR000058814; 6alpha-Fluorobetamethasone-17,21 diacetate; DSSTox_CID_25646; DSSTox_RID_81024; DSSTox_GSID_45646; U-34865; [2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate; Apexicon; Psorcon E; Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6alpha,11beta,16beta)-; Diflorasone diacetate [USAN:JAN]; Florone (TN); Psorcon (TN); CAS-33564-31-7; Diflorasone diacetate [USAN:USP:JAN]; Acetic acid diflorasone; Opera_ID_1660; Prestwick0_000619; Prestwick1_000619; Prestwick2_000619; Prestwick3_000619; SCHEMBL4556; BSPBio_000558; diflorasone 17,21-diacetate; REGID_for_CID_71414; SPBio_002777; BPBio1_000614; GTPL7068; CHEMBL1200545; DTXSID8045646; CTK8F9190; BOBLHFUVNSFZPJ-JOYXJVLSSA-N; HMS1569L20; HMS2096L20; HMS2231D10; HMS3713L20; Diflorasone diacetate (JP17/USP); ZINC4212938; Tox21_110875; AKOS025402039; Tox21_110875_1; AC-3515; BCP9000608; CCG-220619; NCGC00022003-04; NCGC00022003-06; Q944; SC-80650; AB2000740; LS-118428; AB00489907; FT-0639113; D01327; 564D317; A821840; SR-01000000122; Q-101374; SR-01000000122-3; U-34,865; BRD-K17674993-001-03-1; Q27881705; Diflorasone diacetate, United States Pharmacopeia (USP) Reference Standard; (6alpha,11beta,16beta)-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate; [2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate; 6alpha,9-difluoro-11beta-hydroxy-16beta-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate; acetic acid [2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester; Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-,(6-alpha,11-beta,16-beta)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C26H32F2O7",
"molecular_weight": "494.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "71414",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01891",
"RC02512",
"RC03133"
]
},
{
"compound_ID": "D0883",
"name": "digitoxin",
"synonyms": "digitoxin; Digitoxoside; 71-63-6; Digitoxinum; Unidigin; Crystodigin; Digitoksin; Crystodigin (TN); Cardidigin; Carditoxin; Cardigin; Coramedan; Digitophyllin; Acedoxin; Cristapurat; Digimerck; Digipural; Digisidin; Myodigin; Purpurid; Tardigal; Digicor; UNII-E90NZP2L9U; Digitaline nativelle; Asthenthilo; Digitoxosidum; Carditalin; Digilong; Digitoksim; Digitrin; Ditaven; Glucodigin; Lanatoxin; Natigal; Purodigin; Monodigitoxoside; Mono-glycocard; De-Tone; Crystalline digitalin; Digitoxigenin tridigitoxoside; Digitossina [DCIT]; Digitalin, crystalline; Digitaline cristallisee; Purodigin, crystalline; E90NZP2L9U; Crystalline; Mono-digitoxid [German]; MLS000069787; Digitoxine [INN-French]; Digitoxinum [INN-Latin]; Tri-digitoxoside [German]; CHEBI:28544; Digitoxina [INN-Spanish]; Caswell No. 349; Digitossina; Digitaline; Digitoxina; Digitoxine; SMR000058529; Mono-digitoxid; Digitoxigenin-tridigitoxosid [German]; DSSTox_CID_2933; DSSTox_RID_76793; DSSTox_GSID_22933; CCRIS 7116; HSDB 215; NSC 7529; EINECS 200-760-5; C41H64O13; Digitoxigenin-tridigitoxosid; EPA Pesticide Chemical Code 097002; BRN 0076678; CAS-71-63-6; (3beta,5beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide; 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide; NSC7529; NSC-7529; Digitoxin [USP:INN:BAN:JAN]; DigitoXin, USP; NCGC00159428-02; 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-; Digitoxin (JAN/USP/INN); SCHEMBL20940; CHEMBL254219; cid_441207; GTPL6782; MEGxp0_001901; DTXSID0022933; REGID_for_CID_441207; ACon0_000319; ACon1_000610; BDBM46356; WDJUZGPOPHTGOT-XUDUSOBPSA-N; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy, (3beta,5beta)-; HY-B1357; Tox21_111659; Tox21_302269; LMST01120018; MFCD00003686; ZINC95862733; AKOS015915863; Digitoxin, >=92% (HPLC), powder; Tox21_111659_1; CCG-208538; CS-5502; DB01396; MCULE-8291336831; MCULE-9783596421; SMP1_000096; NCGC00142623-02; NCGC00142623-03; NCGC00142623-04; NCGC00142623-05; NCGC00255265-01; SC-43721; ST072187; SBI-0051348.P003; D0542; Y0070; 6467-EP1441224A2; 6467-EP2270011A1; C06955; D00297; 16732-EP2280955A2; 16732-EP2280980A1; 16732-EP2292612A2; 16732-EP2300441A1; 16732-EP2301938A1; 16732-EP2303866A2; 16732-EP2307386A1; 16732-EP2315764A2; 16732-EP2376427A1; 16732-EP2376433A1; NCGC00142623-05_C41H64O13_Crystodigin; 071D636; Q423890; Q-100791; SR-01000721879-2; BRD-K63668566-001-01-7; A572A148-EC30-47D2-A32A-C9D8A93F8EFC; Digitoxin, British Pharmacopoeia (BP) Reference Standard; Z1558290128; Digitoxin, European Pharmacopoeia (EP) Reference Standard; Digitoxin, United States Pharmacopeia (USP) Reference Standard; UNII-3899510F8M component WDJUZGPOPHTGOT-XUDUSOBPSA-N; 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13; 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide; 4-((1S,2S,5S,11S,7R,10R,14R,15R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyl (2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5 ,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-; 4-((1S,2S,5S,11S,7R,10R,14R,15R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyl (2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5 ,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5,6-tetrah ydropyran-2-yloxy); 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one; 4-[(1S,2S,5S,7R,10R,11S,14R,15R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one; 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one; 4-hydroxy-6-methyl(2H-3,4,5,6-tetrah ydropyran-2-yloxy)}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]h eptadec-14-yl)-5-hydrofuran-2-one; 5beta,20(22)-Cardenolide-3beta,14-diol-3-(O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-[1-->4]-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-[1-->4]-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy; Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C41H64O13",
"molecular_weight": "764.9",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "441207",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01AA04",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01892",
"RC02513",
"RC03134"
]
},
{
"compound_ID": "D0884",
"name": "digoxin",
"synonyms": "digoxin; 20830-75-5; 12beta-Hydroxydigitoxin; Lanoxicaps; Lanoxin; Digosin; Digoxin Pediatric; Digacin; Dilanacin; Lanicor; CHEBI:4551; MLS000069819; Cardiogoxin; Lanacordin; Davoxin; Digoxine; Dynamos; Eudigox; Lanacrist; Lenoxin; Mapluxin; Rougoxin; SMR000059217; Vanoxin; Neo-Lanicor; (3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide; Digoxin Nativelle; Lanoxin PG; SK-Digoxin; UNII-73K4184T59; Homolle's digitalin; Hemigoxine Nativelle; MFCD00003674; Digoxin, 95%; NCGC00090797-03; 73K4184T59; DSSTox_CID_2934; Digoxin, analytical standard; DSSTox_RID_76794; Coragoxine; DSSTox_GSID_22934; Lenoxicaps; Neodioxanin; Acygoxin; Cardigox; Cardioxin; Cordioxil; Digomal; Digonix; Digossina; Dimecip; Fargoxin; Lanikor; Lanorale; Lifusin; Natigoxin; Purgoxin; Saroxin; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Dixina; Grexin; Digon; Digos; Dokim; Digoxina-Sandoz; Digoxin-Sandoz; Digoxin-Zori; Digitek; Digoxine Navtivelle; Novodigal [inj.]; Digoksyna [Polish]; Digossina [DCIT]; NSC 95100; Chloroformic digitalin; Lanoxicaps (TN); [3H]digoxin; 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one; LANOXIN PEDIATRIC; SMR000653537; Digoxinum [INN-Latin]; Lanoxin (TN); [3H]-digoxin; Digoxina [INN-Spanish]; HSDB 214; Digoksyna; Digoxina; Digoxinum; Digoxigenin-tridigitoxosid [German]; EINECS 244-068-1; C41H64O14; NSC-95100; BRN 0077011; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydr; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-; oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Prestwick_170; CAS-20830-75-5; 3b0w; 12bet.-Hydroxydigitoxin; Digoxigenin-tridigitoxosid; Opera_ID_1134; Prestwick0_000437; Prestwick1_000437; Prestwick2_000437; Prestwick3_000437; Digoxin (JP17/USP); Epitope ID:122964; CHEMBL1751; BIDD:PXR0148; SCHEMBL20506; BSPBio_000454; MLS001055371; MLS001076495; SPBio_002393; BPBio1_000500; GTPL4725; GTPL4726; Digoxin [USP:INN:BAN:JAN]; Digoxin 1.0 mg/ml in Methanol; DTXSID5022934; BDBM46355; cid_2724385; LTMHDMANZUZIPE-PUGKRICDSA-N; REGID_for_CID_2724385; ZX-AFC001295; HMS1569G16; HMS2096G16; HMS2232G20; HMS3713G16; (3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide; 3beta-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide; HY-B1049; Tox21_111025; Tox21_201678; Tox21_303050; s4290; AKOS015895113; AKOS024283494; ZINC242548690; CCG-220437; CS-4571; DB00390; MCULE-8165628529; NCGC00090797-01; NCGC00090797-02; NCGC00090797-04; NCGC00090797-05; NCGC00090797-06; NCGC00090797-07; NCGC00090797-09; NCGC00090797-15; NCGC00257022-01; NCGC00259227-01; AS-13281; CC-26802; H797; ST069334; B7684; D1828; C06956; D00298; J10027; 5-18-04-00381 (Beilstein Handbook Reference); 830D755; A814956; C-23516; Q422222; SR-01000721866; Digoxin, certified reference material, TraceCERT(R); J-013666; SR-01000721866-3; SR-01000721866-4; BRD-K23478508-001-03-7; Digoxin, European Pharmacopoeia (EP) Reference Standard; 0B9662A7-264E-4ACD-94B2-9E1138C0CA5A; Digoxin, United States Pharmacopeia (USP) Reference Standard; Digoxin, Pharmaceutical Secondary Standard; Certified Reference Material; 3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid; Digoxin for peak identification, European Pharmacopoeia (EP) Reference Standard; Digoxin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,; 4-((1S,2S,5S,11S,15S,7R,10R,14R,16R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-me thyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3 ,4,5,6-tetrahydropyran-2-yloxy)](4S,5S,2R,; 4-((1S,2S,5S,11S,15S,7R,10R,14R,16R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-me thyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3 ,4,5,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5,6-te trahydropyran-2-yl; 6R)-4-hydroxy-6-methyl(2H-3,4,5,6-te trahydropyran-2-yloxy)}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0 <11,15>]heptadec-14-yl)-5-hydrofuran-2-one; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-; Card-20(22)-enolide, 3-[[O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxy-, (3.beta.,5.beta.,12.beta.)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C41H64O14",
"molecular_weight": "780.9",
"state": "solid",
"clearance": "The clearance of digoxin closely correlates to creatinine clearance, and does not depend on urinary flow. Individuals with renal impairment or failure may exhibit extensively prolonged half-lives. It is therefore important to titrate the dose accordingly and regularly monitor serum digoxin levels.[L6775] One pharmacokinetic study measured the mean body clearance of intravenous digoxin to be 88 ± 44ml/min/l.73 m².[A178324] Another study provided mean clearance values of 53 ml/min/1.73 m² in men aged 73-81 and 83 ml/min/1.73 m² in men aged 20-33 years old after an intravenous digoxin dose.[A178318]",
"volume_of_distribution": "This drug is widely distributed in the body, and is known to cross the blood-brain barrier and the placenta.[L6775,A178228] The apparent volume of distribution of digoxin is 475-500 L.[L6775] A large portion of digoxin is distributed in the skeletal muscle followed by the heart and kidneys.[A178228] It is important to note that the elderly population, generally having a decreased muscle mass, may show a lower volume of digoxin distribution.[L6775]",
"route_of_elimination": "The elimination of digoxin is proportional to the total dose, following first order kinetics. After intravenous (IV) administration to healthy subjects, 50-70% of the dose is measured excreted as unchanged digoxin in the urine. Approximately 25 to 28% of digoxin is eliminated outside of the kidney. Biliary excretion appears to be of much less importance than renal excretion.[A178228]\n\nDigoxin is not effectively removed from the body by dialysis, exchange transfusion, or during cardiopulmonary bypass because most of the drug is bound to extravascular tissues.[L6775]",
"protein_binding": "Digoxin protein binding is approximately 25%.[L6775] It is mainly bound to albumin.[A178228]",
"half_life": "Digoxin has a half-life of 1.5-2 days in healthy subjects.[L6775] The half-life in patients who do not pass urine, usually due to renal failure, is prolonged to 3.5-5 days. Since most of the drug is distributed extravascularly, dialysis and exchange transfusion are not optimal methods for the removal of digoxin.[L6775]",
"absorption": "Digoxin is approximately 70-80% absorbed in the first part of the small bowel.[A178228] The bioavailability of an oral dose varies from 50-90%, however, oral gelatinized capsules of digoxin are reported to have a bioavailability of 100%.[A178252] Tmax, or the time to reach the maximum concentration of digoxin was measured to be 1.0 h in one clinical study of healthy patients taking 0.25 mg of digoxin with a placebo.[A178369] Cmax, or maximum concentration, was 1.32 ± 0.18 ng/ml−1 in the same study, and AUC (area under the curve) was 12.5 ± 2.38 ng/ml−1.[A178369]\nIf digoxin is ingested after a meal, absorption is slowed but this does not change the total amount of absorbed drug. If digoxin is taken with meals that are in fiber, absorption may be decreased.[L6274]\n\n**A note on gut bacteria**\n\nAn oral dose of digoxin may be transformed into pharmacologically inactive products by bacteria in the colon. Studies have indicated that 10% of patients receiving digoxin tablets will experience the degradation of at least 40% of an ingested dose of digoxin by gut bacteria. Several antibiotics may increase the absorption of digoxin in these patients, due to the elimination of gut bacteria, which normally cause digoxin degradation.[L6775] \n\n**A note on malabsorption**\n\nPatients with malabsorption due to a variety of causes may have a decreased ability to absorb digoxin.[L6775] P-glycoprotein, located on cells in the intestine, may interfere with digoxin pharmacokinetics, as it is a substrate of this efflux transporter. P-glycoprotein can be induced by other drugs, therefore reducing the effects of digoxin by increasing its efflux in the intestine.[L6775]",
"cid": "2724385",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C01AA05",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01893",
"RC02514",
"RC03135"
]
},
{
"compound_ID": "D0885",
"name": "dihydrotachysterol",
"synonyms": "dihydrotachysterol; Dichystrolum; Dihidrotaquisterol; Anti-tetany substance 10; Dihydrotachysterolum; Calcamine; UNII-R5LM3H112R; Antitanil; Dihydral; Tachyrol; Tachystin; 67-96-9; Dygratyl; Hytakerol; Parterol; CHEBI:4591; DHT2; R5LM3H112R; AT 10; Dht(sub 2); Tachysterol, dihydro-; Tachysterol2, dihydro-; Dihydrotachysterol(sub 2); Diidrotachisterolo [DCIT]; Dichysterol; HSDB 3314; Dihidrotaquisterol [INN-Spanish]; Dihydrotachysterolum [INN-Latin]; (3S,5E,7E,10S,22E)-9,10-secoergosta-5,7,22-trien-3-ol; EINECS 200-672-7; (5E,7E,22E)-(3S,10S)-9,10-seco-5,7,22-ergostatrien-3-ol; Diidrotachisterolo; A.T. 10; dihydrotachysterol2 / (5E)-(10S)-10,19-dihydrovitamin D2 / (5E)-(10S)-10,19-dihydroergocalciferol; 9,10-Secoergosta-5,7,22-trien-3beta-ol; 9,10-Secoergosta-5,7,22-trien-3-ol, (3beta,5E,7E,10alpha,22E)-; Hytakerol (TN); NCGC00166147-02; Dihydrotachysterol [USP:INN:BAN:JAN]; DSSTox_CID_2938; DSSTox_RID_76796; DSSTox_GSID_22938; SCHEMBL41340; CHEMBL2356023; DTXSID5022938; Dihydrotachysterol (JAN/USP/INN); ZINC4212953; Tox21_112341; LMST03010056; DB01070; CAS-67-96-9; D00299; Q155685;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C28H46O",
"molecular_weight": "398.7",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": ">99%",
"half_life": "",
"absorption": "",
"cid": "5311071",
"classification": "A",
"indications": "",
"side_effects": "",
"atc_codes": "A11CC02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01894",
"RC02515",
"RC03136"
]
},
{
"compound_ID": "D0886",
"name": "dimefline hydrochloride",
"synonyms": "dimefline hydrochloride; 2740-04-7; Demefline; Remeflin; DW-62; NSC-114650; CHEBI:31495; REC 7/0267; Dimefline HCl; UNII-H0XB4R74ID; H0XB4R74ID; NSC114650; NCGC00181097-01; Remeflin (TN); Dimefine Hydrochloride; Flavone, hydrochloride; DSSTox_CID_26841; DSSTox_RID_81951; DSSTox_GSID_46841; SCHEMBL121889; CHEMBL1203969; DTXSID1046841; CTK8H9519; Dimefline hydrochloride (JAN/USAN); Tox21_112713; 4H-1-Benzopyran-4-one, hydrochloride; CAS-2740-04-7; V0299; C12717; D01288; Q27114327; WLN: T66 BO EVJ CR& D1 IO1 J1N1&1 &GH; 3-Methyl-7-methoxy-8-[(dimethylamino)methyl]flavone hydrochloride; 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-chromen-4-one; 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H22ClNO3",
"molecular_weight": "359.8",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "443942",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01895",
"RC02516",
"RC03137"
]
},
{
"compound_ID": "D0887",
"name": "dinex",
"synonyms": "Dinex; 2-Cyclohexyl-4,6-dinitrophenol; Dowspray 17; Pedinex; DNOCHP; Dinitrocyclohexylphenol; Dry mix No. 1; DN (pesticide); Dn Dry Mix No. 1; 131-89-5; Dn Dust No. 12; Dinitro-o-cyclohexylphenol; Phenol, 2-cyclohexyl-4,6-dinitro-; DN 1; 4,6-Dinitro-o-cyclohexylphenol; Pedinex [French]; 6-Cyclohexyl-2,4-dinitrophenol; Rcra waste number P034; ENT 157; SN 46; Dinex [ISO]; Caswell No. 391; 2-Cyclohexyl-4,6-dinitrofenol; 6-Cicloesil-2,4-dinitr-fenolo; 2,4-DINITRO-6-CYCLOHEXYLPHENOL; Phenol, 6-cyclohexyl-2,4-dinitro-; Dinitro-ortho-cyclohexylphenol; NSC 403662; UNII-149RBS03P0; HSDB 6046; EINECS 205-042-5; RCRA waste no. P034; EPA Pesticide Chemical Code 037501; 2-Cyclohexyl-4,6-dinitrofenol [Dutch]; BRN 2005960; 6-Cicloesil-2,4-dinitr-fenolo [Italian]; AI3-00157; CHEBI:82167; QJYHUJAGJUHXJN-UHFFFAOYSA-N; 149RBS03P0; DN; WLN: L6TJ AR BQ CNW ENW; 4,6-Dinitro-o-cyclohexyl phenol; Stryphnonasal (Salt/Mix); DSSTox_CID_4064; DSSTox_RID_77276; DSSTox_GSID_24064; 4-06-00-03903 (Beilstein Handbook Reference); SCHEMBL117983; CHEMBL3188606; DTXSID4024064; CTK8G8055; NSC7739; NSC-7739; phenol, 2-cyclohexyl-4,4-dinitro-; Tox21_200872; NSC403662; ZINC16889933; AKOS022180732; NA 9026; NSC-403662; NCGC00248856-01; NCGC00258426-01; CAS-131-89-5; LS-104282; C19038; Q27155777;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H14N2O5",
"molecular_weight": "266.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "8540",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01896",
"RC02517",
"RC03138"
]
},
{
"compound_ID": "D0888",
"name": "diniconazole",
"synonyms": "Diniconazole; Spotless; Mixor; Ortho spotless; Sumi; 83657-24-3; Nb (pesticide); Diniconazole [ISO]; Sumi-8; Nb 2; Sumi 8-12.5WP; S-3308L; 76714-88-0; XE-779 L; XE 779; Diclopentezol; 70217-36-6; CHEBI:83909; S-3308-10; (E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol; (E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol; (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol; (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol; 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (betaE)-; 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-; 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-(+-)-; S 3308; DSSTox_CID_20363; DSSTox_RID_79486; DSSTox_GSID_40363; SCHEMBL21284; SCHEMBL21286; CHEMBL135386; DTXSID2040363; FBOUIAKEJMZPQG-AWNIVKPZSA-N; HY-B1948; Tox21_300887; AKOS025310613; CS-5213; Diniconazole 10 microg/mL in Isooctane; NCGC00168303-01; NCGC00168303-02; NCGC00254791-01; 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-; AS-14255; K492; CAS-83657-24-3; LS-155982; LS-155983; C18720; 657D243; A838806; A840628; Q27157324; (+)-(E)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol; (-)-(E)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol; (e)-(rs)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pent-1-en-3-ol; (E)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol; Pesticide6_Diniconazole_C15H17Cl2N3O_(1E)-1-(2,4-Dichlorphenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H17Cl2N3O",
"molecular_weight": "326.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6436605",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01897",
"RC02518",
"RC03139"
]
},
{
"compound_ID": "D0889",
"name": "dinobuton",
"synonyms": "Dinobuton; Drawinol; Kasebon; Sytasol; Acrex; Akrex; 973-21-7; Isophen (pesticide); DESSIN; Dinofen; Talan; Union Carbide 19786; Caswell No. 128F; Dinobuton [BSI:ISO]; 2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate; MC 1053; UC 19786; HSDB 1527; OMS 1056; EINECS 213-546-1; ENT 27,244; EPA Pesticide Chemical Code 228700; 2,4-Dinitro-6-sec-butylphenyl isopropyl carbonate; Isopropyl 2,4-dinitro-6-sec-butylphenyl carbonate; BRN 2065340; Carbonic acid, 1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester; DS 18302; Dinitro-sec-butylphenyl isopropyl carbonate; AI3-27244; Carbonic acid, 2-sec-butyl-4,6-dinitrophenyl isopropyl ester; CHEBI:81914; HDWLUGYOLUHEMN-UHFFFAOYSA-N; Phenol, 2-sec-butyl-4,6-dinitro-, isopropylcarbonate; (2-sek.Butyl-4,6-dinitrofenyl)-isopropylkarbonat [Czech]; 2,4-Dinitro-6-sek.butyl-isopropylphenylcarbonat [German]; 2-(1-Methyl-2-propyl)-4,6-dinitrophenyl isopropylcarbonate; Isopropyl-2-(1-methyl-n-propyl)-4,6-dinitrophenyl carbonate; 1-Methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl carbonate; Isothion; Isofen; methylethyl [6-(methylpropyl)-2,4-dinitrophenoxy]formate; (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate; 2,4-Dinitro-6-sek.butyl-isopropylphenylcarbonat; DSSTox_CID_20268; DSSTox_RID_79461; (2-sek.Butyl-4,6-dinitrofenyl)-isopropylkarbonat; DSSTox_GSID_40268; SCHEMBL14906; CBDivE_000527; CHEMBL1358468; DTXSID4040268; CTK5H9223; Tox21_302224; STK757852; AKOS001766460; MCULE-3067648387; NCGC00166186-01; NCGC00255564-01; 62655-72-5; CAS-973-21-7; LS-51932; Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, mixt. with O,O-dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate; ST008222; ST4037768; TR-030217; Dinobuton, PESTANAL(R), analytical standard; C18721; Q1226658; 2-(sec-Butyl)-4,6-dinitrophenyl isopropyl carbonate; 2-(butan-2-yl)-4,6-dinitrophenyl propan-2-yl carbonate; CARBONIC ACID-2-SEC-BUTYL-4,6-DINITRO-PHENYL ISOPROPYL ESTER; Carbonic acid, 1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H18N2O7",
"molecular_weight": "326.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13783",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01898",
"RC02519",
"RC03140"
]
},
{
"compound_ID": "D0890",
"name": "dinocap",
"synonyms": "DSSTox_CID_20352; DSSTox_RID_79482; DSSTox_GSID_40352; SCHEMBL7198081; CHEMBL3187371; CJODAJKFLVIKHL-XBXARRHUSA-N; Tox21_302217; AKOS025295280; ZINC103705542; NCGC00255514-01; CAS-39300-45-3; 4,6-Dinitro-2-(6-methylheptyl)phenol crotonate",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H24N2O6",
"molecular_weight": "364.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "53249535",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01899",
"RC02520",
"RC03141"
]
},
{
"compound_ID": "D0891",
"name": "dinoterb",
"synonyms": "DINOTERB; 2-tert-Butyl-4,6-dinitrophenol; 1420-07-1; Dinoterbe; Stirpan forte; Herbogil; Dntbp; 2,4-Dinitro-6-tert-butylphenol; Phenol, 2-(1,1-dimethylethyl)-4,6-dinitro-; Phenol, 2-tert-butyl-4,6-dinitro-; Caswell No. 392F; Dinoterb [BSI:ISO]; Dinoterbe [ISO-French]; Phenol, o-t-butyl-4,6-dinitro-; Phenol, o-tert-butyl-4,6-dinitro-; UNII-2O5H456CFI; NSC 166496; HSDB 1598; 2-(1,1-Dimethylethyl)-4,6-dinitrophenol; EINECS 215-813-8; EPA Pesticide Chemical Code 228400; BRN 1887173; 2-tert-Butyl-4,6-dinitrophenol [ISO]; 2O5H456CFI; CHEBI:81883; Phenol,2-(1,1-dimethylethyl)-4,6-dinitro-; DSSTox_CID_21883; DSSTox_RID_79864; DSSTox_GSID_41883; SCHEMBL53794; 4-06-00-03293 (Beilstein Handbook Reference); CHEMBL1994620; DTXSID7041883; 4,6-Dinitro-2-tert-butylphenol; CTK4C2893; IIPZYDQGBIWLBU-UHFFFAOYSA-N; 2-tert-butyl-4,6-dinitro-phenol; Phenol, 2-t-butyl-4,6-dinitro-; ZINC1655733; Tox21_300743; NSC166496; AKOS015994017; Dinoterb 10 microg/mL in Acetonitrile; HF-0007; MCULE-5591921524; NSC-166496; Phenol,1-dimethylethyl)-4,6-dinitro-; Dinoterb 100 microg/mL in Acetonitrile; KS-000026M0; NCGC00160578-01; NCGC00160578-02; NCGC00254649-01; CC-11947; NCI60_001301; CAS-1420-07-1; DB-042599; LS-104135; Dinoterb, PESTANAL(R), analytical standard; FT-0633530; Phenol, 2-tert-butyl-4,6-dinitro- (8CI); C18671; C-14377; Q1226713; Phenol, 2-(1,1-dimethylethyl)-4,6-dinitro- (9CI);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C10H12N2O5",
"molecular_weight": "240.21",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "14994",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01900",
"RC02521",
"RC03142"
]
},
{
"compound_ID": "D0892",
"name": "diphenan",
"synonyms": "Diphenan; Carbaurine; Carphenol; Diphenane; Parabencil; Butolan; Butolen; Oxybulan; Palafuge; p-Benzylphenyl carbamate; 101-71-3; Diphenan [INN:DCF]; Difenano [INN-Spanish]; Diphenane [INN-French]; Diphenanum [INN-Latin]; Diphenan (pharmaceutical); Parabencilfenol [Spanish]; UNII-U129BBY8DB; 4-(Phenylmethyl)phenol carbamate; Diphenan, pharmaceutical; 4-Benzylphenyl carbamate; p-Cresol, alpha-phenyl-, carbamate; Phenol, 4-(phenylmethyl)-, carbamate; BRN 3295222; U129BBY8DB; GNF-Pf-1544; alpha-Phenyl-p-cresol carbamate; .alpha.-Phenyl-p-cresol carbamate; NCGC00160564-01; p-Hydroxydiphenylmethane carbamic acid ester; Carbamic acid, .alpha.-phenyl-p-tolyl ester; Parabencilfenol; Diphenanum; Difenano; (4-benzylphenyl)carbamate; Phenol, carbamate; p-Cresol, carbamate; DSSTox_CID_26234; DSSTox_RID_81461; DSSTox_GSID_46234; 3-06-00-03360 (Beilstein Handbook Reference); SCHEMBL667724; CHEMBL608856; ZINC1314; DTXSID4046234; CHEBI:134933; ZBJBRUSGEJORQL-UHFFFAOYSA-N; NSC60023; Tox21_111903; NSC-60023; AKOS024332138; p-Cresol, .alpha.-phenyl-, carbamate; MCULE-6193300831; CAS-101-71-3; LS-105063; SR-01000945032; SR-01000945032-1; Q27290543;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H13NO2",
"molecular_weight": "227.26",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7572",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01901",
"RC02522",
"RC03143"
]
},
{
"compound_ID": "D0893",
"name": "diphenoxylate hydrochloride",
"synonyms": "Diphenoxylate hydrochloride; 3810-80-8; Diphenoxylate HCl; UNII-W24OD7YW48; W24OD7YW48; Diphenoxylate hydrochloride [USP]; R 1132 (antiperistaltic); EINECS 223-287-6; DSSTox_CID_27821; DSSTox_RID_82584; DSSTox_GSID_47843; Q-201004; Diphenoxylate hydrochloride (USP); R 1132; ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride; CHEBI:59784; CAS-3810-80-8; ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride; NCGC00167963-01; NCGC00167963-02; 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride; Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride; SCHEMBL42124; MLS001401383; Diphenoxylate hydrochloride cii; CHEMBL1200665; DTXSID3047843; R-1132 (ANTIPERISTALTIC); Tox21_112593; Tox21_112825; AKOS027382491; Tox21_112593_1; CCG-101002; NC00252; NCGC00167963-03; CPD000469140; H507; SAM001246532; SMR000469140; FT-0080160; FT-0650835; D03860; Q27126896; 4-Ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile, hydrochloride; Diphenoxylate hydrochloride solution, 1.0 mg/mL in acetonitrile (as free base), ampule of 1 mL, certified reference material;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C30H33ClN2O2",
"molecular_weight": "489",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "6432394",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01902",
"RC02523",
"RC03144"
]
},
{
"compound_ID": "D0894",
"name": "diphenylcyclopropenone",
"synonyms": "Diphenylcyclopropenone; 886-38-4; Diphencyprone; 2,3-Diphenylcycloprop-2-en-1-one; 2,3-Diphenylcyclopropenone; 2,3-Diphenylcycloprop-2-enone; 2-Cyclopropen-1-one, 2,3-diphenyl-; Cyclopropenone, diphenyl-; 1,2-Diphenylcyclopropen-3-one; DPCP; Cyclopropenone, 2,3-diphenyl-; UNII-I7G14NW5EC; 2,3-Diphenyl-2-cyclopropen-1-one; CHEBI:53074; EINECS 212-948-4; NSC 57541; Diphenylcyclopropenone, 98%; I7G14NW5EC; diphenylcycloprop-2-en-1-one; HCIBTBXNLVOFER-UHFFFAOYSA-N; GEO-01240; MFCD00001311; NCGC00166113-01; CPD000449319; DSSTox_CID_26545; DSSTox_RID_81708; DSSTox_GSID_46545; W-200519; CAS-886-38-4; SMR000449319; Maybridge1_002005; ACMC-20al56; Cyclopropenone,3-diphenyl-; Epitope ID:113236; 2,3-diphenyl cyclopropenone; MLS000758252; MLS001424007; SCHEMBL105663; CHEMBL1373467; DTXSID2046545; CTK3J1964; HMS547D03; Cyclopropenone, diphenyl- (8CI); 2-Cyclopropen-1-one,3-diphenyl-; HMS2051I09; HMS2231A10; HMS3393I09; NSC57541; ZX-AT006360; Tox21_112322; 2,3-Diphenyl-2-cyclopropene-1-one; 2,3-diphenyl-cycloprop-2-en-1-one; BBL007727; CCG-55613; KM2694; NSC-57541; SBB059194; STK289679; AKOS005257686; Tox21_112322_1; DB12173; MCULE-6674594079; NC00029; OR22091; PS-4199; RTR-027871; SB17263; TRA0065309; VZ22322; NCGC00166113-02; NCGC00166113-04; AK159241; LS-58814; SAM001247027; AX8125871; 4CH-019767; FT-0625256; ST24038568; ST50319444; 2-Cyclopropen-1-one, 2,3-diphenyl- (9CI); KS-00001966; AD-310/30361065; Diphenylcyclopropenone, purum, >=98.0% (HPLC); Q5279743; SR-01000644630-1; InChI=1/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H10O",
"molecular_weight": "206.24",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "65057",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01903",
"RC02524",
"RC03145"
]
},
{
"compound_ID": "D0895",
"name": "diphenylurea",
"synonyms": "1,3-Diphenylurea; N,N'-Diphenylurea; 102-07-8; CARBANILIDE; Diphenylurea; Diphenylcarbamide; Urea, N,N'-diphenyl-; s-Diphenylurea; sym-Diphenylurea; Acardite I; N-Phenyl-N'-phenylurea; Acardite; 1,3-Diphenylcarbamide; Karbanilid; N,N'-Difenylmocovina; USAF EK-534; Urea, 1,3-diphenyl-; Karbanilid [Czech]; 1,3-diphenyl-urea; AD 30; UNII-94YD8RMX5B; NSC 227401; N,N'-Difenylmocovina [Czech]; CCRIS 4634; HSDB 2757; Urea-based compound, 7; EINECS 203-003-7; BRN 0782650; 94YD8RMX5B; AI3-52320; CHEBI:41320; GWEHVDNNLFDJLR-UHFFFAOYSA-N; Urea,3-diphenyl-; Urea,N'-diphenyl-; MFCD00003017; WLN: RMVMR; N,N'-Diphenylurea, 97%; F0316-0002; N-phenyl(phenylamino)carboxamide; N'N'-Diphenyl urea; SR-01000398115; bis-phenyl-urea; Zeonet U; 2zjf; n,n'-diphenyl-urea; N, N'-diphenylurea; N,N'-diphenyl urea; 1, 3-Diphenylurea; Kinome_598; Kinome_627; N,N'-bis-Phenylurea; Spectrum_000422; SpecPlus_000406; Spectrum2_001838; Spectrum3_001328; Spectrum4_001561; Spectrum5_000182; DSSTox_CID_5183; 1 pound not3-diphynylurea; 1,3-Diphenylurea, 98%; DSSTox_RID_77698; DSSTox_GSID_25183; Oprea1_527136; BSPBio_003055; CBDivE_002165; KBioGR_002082; KBioSS_000902; SPECTRUM211126; 4-12-00-00741 (Beilstein Handbook Reference); KSC175E2F; MLS002207104; DivK1c_006502; SCHEMBL133103; SPBio_001915; CHEMBL354676; DTXSID2025183; SCHEMBL21313806; BDBM25725; CTK0H5222; KBio1_001446; KBio2_000902; KBio2_003470; KBio2_006038; KBio3_002275; KS-00000WTV; NSC8485; 3e85; ACMC-209800; NSC-8485; RKL10128; Tox21_200068; ANW-14638; CCG-38465; GEO-04213; ICCB1_000093; LS-354; NSC227401; SBB058217; STK328350; ZINC12416741; AKOS000312994; DB07496; FS-4202; MCULE-4684667909; NSC-227401; RTR-000546; SDCCGMLS-0066513.P001; TRA0086633; VZ36373; NCGC00091344-01; NCGC00091344-02; NCGC00091344-03; NCGC00091344-04; NCGC00091344-05; NCGC00257622-01; AC-12855; AK106179; CAS-102-07-8; SMR000112141; Carbanalide 100 microg/mL in Acetonitrile; AB1002487; TR-000546; EU-0067898; FT-0606720; ST45141119; L-5305; 1,3-Diphenylurea, Vetec(TM) reagent grade, 98%; AQ-917/40171059; SR-01000398115-1; SR-01000398115-2; W-108886; BRD-K13027645-001-02-0; Q27096716; N,N inverted exclamation marka-Diphenylurea; Carbanilide; InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H12N2O",
"molecular_weight": "212.25",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "7595",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01904",
"RC02525",
"RC03146"
]
},
{
"compound_ID": "D0896",
"name": "disperse red 82",
"synonyms": "Disperse Red 82; 30124-94-8; UNII-043XMP654U; 12223-42-6; 043XMP654U; Benzonitrile, 2-((4-(bis(2-(acetyloxy)ethyl)amino)phenyl)azo)-5-nitro-; Benzonitrile, 2-[[4-[bis[2-(acetyloxy)ethyl]amino]phenyl]azo]-5-nitro-; Benzonitrile, 2-(2-(4-(bis(2-(acetyloxy)ethyl)amino)phenyl)diazenyl)-5-nitro-; Benzonitrile, 2-[2-[4-[bis[2-(acetyloxy)ethyl]amino]phenyl]diazenyl]-5-nitro-; EINECS 250-061-4; C.I.Disperse Red 82; DSSTox_CID_24642; DSSTox_RID_80370; DSSTox_GSID_44642; SCHEMBL8529033; CHEMBL3182785; DTXSID6044642; GRMDKKJYMUDEJO-UHFFFAOYSA-N; 3-Nitro-6-((4-(N,N-diacetoxyethylamino)phenyl)azo)benzonitrile); Tox21_302510; ZINC31392534; N,N-Bis(2-(acetyloxy)ethyl)-4-((2-cyano-4-nitrophenyl)azo)benzeneamine; 2-((4-((Bis(2-hydroxyethyl))amino)phenyl)azo)-5-nitrobenzonitrile, diacetate (ester); ACM30124948; NCGC00256740-01; CAS-30124-94-8; FT-0729421; 223D426; Q27247613; 4-(2'-cyano-4'-nitrophenylazo)-N,N-di(beta-acetoxyethyl)aniline; 2-((4-(Bis(2-(acetyloxy)ethyl)amino)phenyl)azo)-5-nitrobenzonitrile;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C21H21N5O6",
"molecular_weight": "439.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "121639",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01905",
"RC02526",
"RC03147"
]
},
{
"compound_ID": "D0897",
"name": "dithiazanine chloride",
"synonyms": "Dithiazanine chloride; 54646-38-7; NCGC00181104-02; DSSTox_CID_28657; DSSTox_RID_82927; DSSTox_GSID_48731; CHEMBL2357179; CTK5A2057; Tox21_113171; Benzothiazolium,3-ethyl-2-[5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl]-, chloride(1:1); CAS-54646-38-7;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H23ClN2S2",
"molecular_weight": "427",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "57350843",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01906",
"RC02527",
"RC03148"
]
},
{
"compound_ID": "D0898",
"name": "dithiazanine iodide",
"synonyms": "DITHIAZANINE IODIDE; 3,3'-Diethylthiadicarbocyanine iodide; Dithiazine; Dizan; 514-73-8; Dithiazanini iodidum; Diethylthiadicarbocyanine iodide; Ioduro de ditiazanina; Iodure de dithiazanine; MLS000069807; Dithiazanin iodide; CHEBI:228275; 3,3'-Diethyldithiacarbodicyanine iodide; 3,3'-Diethylpentamethinethiacyanine iodide; SMR000059184; 3,2'-thiadicarbocyanine iodide; Benzothiazolium,3-pentadienyl]-, iodide; (2-Bis(3-ethylbenzothiazolyl))pentamethine cyanine iodide; 3,3-Diethylthiadicarbocyanine iodide; 3-Ethyl-2-(5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)benzothiazolium iodide; WLN: T56 BNYSJ B2 CU2U2U1- CT56 BK DSJ B2 &I; C5-thiacyanine; [2-Bis(3-ethylbenzothiazolyl)]pentamethine cyanine iodide; 3-Ethyl-2-[5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl]benzothiazolium iodide; Opera_ID_673; 3-ethyl-2-((1E,3E,5E)-5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodide; Thiadicarbocyanine (C5) dye; CHEMBL421701; NSC26010; NSC-26010; NSC221154; SBB057591; AKOS025116954; NSC-221154; VU0254060-4; C18391; 3,3'-Diethylthiadicarbocyanine iodide, Dye content 98 %; 169736-34-9; 3-ethyl-2-[(1E,3E,5Z)-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide; 3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C23H23IN2S2",
"molecular_weight": "518.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5702697",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01907",
"RC02528",
"RC03149"
]
},
{
"compound_ID": "D0899",
"name": "docetaxel",
"synonyms": "docetaxel; Taxotere; 114977-28-5; Docetaxel anhydrous; Docetaxol; RP-56976; EmDOC; RP 56976; NSC 628503; N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol; UNII-699121PHCA; TXL; Taxotere (TN); N-debenzoyl-N-Boc-10-deacetyl taxol; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol; CHEBI:4672; 699121PHCA; Docetaxel, 98%; NSC628503; NSC-628503; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel; Docetaxolum [INN-Latin]; DSSTox_CID_20464; DSSTox_RID_79497; DSSTox_GSID_40464; (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; Docetaxel, Trihydrate; HSDB 6965; Docetaxolum; Taxoel; Docetaxel(Taxotere); Docetaxel intermediate; Taxotere(R); Docetaxel Winthrop; Docetaxel [INN]; (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate; CAS-114977-28-5; Docecad; Docefrez; docetaxel 114977-28-5; XRP-6976L; ANX-514; SDP-014; SID 530; Docetaxel (TN); NCGC00181306-01; NCGC00181306-02; 5?,20-Epoxy-1,7?,10?-trihydroxy-9-oxotax-11-ene-2?,4,13?-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate]; AK-72918; Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester; Taxotere (Aventis); CID148124; MFCD00800737; Docetaxel - Taxotere; RP56976; bind-014; Docetaxel (JAN/INN); CHEMBL92; SCHEMBL4419; GTPL6809; DTXSID0040464; BDBM36351; SYP-0704A; ZDZOTLJHXYCWBA-VCVYQWHSSA-; ZDZOTLJHXYCWBA-VCVYQWHSSA-N; 114977-28-5, Docetaxel; HMS2089K08; Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-; EX-A1206; HY-B0011; InChI=1/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,5; Tox21_112781; Tox21_113088; AC-383; CD-195; CD0182; ZINC85537053; AKOS015960718; AKOS024457953; Tox21_112781_1; CS-1144; DB01248; KS-1452; MCULE-1930158681; Docetaxel, purum, >=97.0% (HPLC); NCGC00181306-04; NCGC00242509-01; 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate; SC-16998; AB0072965; D4102; C11231; D07866; W-1428; AB01273941-01; AB01273941-02; Q420436; SR-01000003023; W-60384; Q-100074; SR-01000003023-5; BRD-K30577245-001-04-3; BRD-K30577245-341-01-9; Z1551429742; Anhydrous Docetaxel, European Pharmacopoeia (EP) Reference Standard; (1R,2aR,4S,4aS,6R,9S,11S,12S,12aR)-1-Acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10; (2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; [2aR-[2a?,4?,4a?,6?,9?(?R*,?S*),11?,12?,12a?,12b?]]-?-[[(1,1-Dimethylethoxy)carbonyl]amino]-?-hydroxy-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester benzenepropanoic acid; [acetoxy-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-trihydroxy-tetramethyl-oxo-[?]yl] benzoate; Benzenepropanoic acid,1-dimethylethoxy)carbonyl]amino]-.alpha.-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (.alpha.R,.beta.S);",
"trade_name": "Taxol",
"abbrev_name": "Paclitaxel, PTX",
"description": "Anti-cancer",
"molecular_formula": "C43H53NO14",
"molecular_weight": "807.9",
"state": "solid",
"clearance": "* 21 L/h/m2 [Total body clearance, cancer patients after IV administration of 20–115 mg/m2]",
"volume_of_distribution": "The initial rapid decline represents distribution to the peripheral compartments and the late (terminal) phase is due, in part, to a relatively slow efflux of docetaxel from the peripheral compartment.\n* 113 L",
"route_of_elimination": "Docetaxel was eliminated in both the urine and feces following oxidative metabolism of the tert-butyl ester group, but fecal excretion was the main elimination route. Within 7 days, urinary and fecal excretion accounted for approximately 6% and 75% of the administered radioactivity, respectively.",
"protein_binding": "In vitro studies show that 94% protein bound, mainly to a1-acid glycoprotein, albumin, and lipoproteins. When measured in cancer patients, docetaxel is 97% bound to plasma protein. Dexamethasone does not affect the protein binding of docetaxel.",
"half_life": "Dose-dependent. Doses of 70 mg per square meter of body surface area (mg/m 2 ) or higher produce a triphasic elimination profile. With lower doses, assay limitations precluded detection of the terminal elimination phase. The half-life of the alpha, beta, and gamma phase are 4 minutes, 36 minutes, and 11.1 hours, respectively.",
"absorption": "The pharmacokinetic profile is consistent with a three-compartment model. The area under the curve (AUC) was dose proportional following doses of 70 mg/m2 to 115 mg/m2 with infusion times of 1 to 2 hours.",
"cid": "148124",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01CD02",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108",
"F030803"
],
"references": [
"RC01908",
"RC02529",
"RC03150",
"RC03444"
]
},
{
"compound_ID": "D0900",
"name": "dodecyl gallate",
"synonyms": "Dodecyl gallate; Lauryl gallate; 1166-52-5; Dodecyl 3,4,5-trihydroxybenzoate; Nipagallin LA; Progallin LA; Gallic acid, dodecyl ester; Gallic acid, lauryl ester; n-Dodecyl gallate; BENZOIC ACID, 3,4,5-TRIHYDROXY-, DODECYL ESTER; n-dodecylgallate; Gallic Acid Dodecyl Ester; Lauryl 3,4,5-trihydroxybenzoate; antioxidant E 312; antioxidant E-312; Dodecylester kyseliny gallove; E 312 antioxidant; E-312 antioxidant; NSC 133463; CCRIS 5568; GALLIC ACID LAURYL ESTER; UNII-45612DY463; EINECS 214-620-6; Dodecylester kyseliny gallove [Czech]; Gallic acid n-dodecyl ester; BRN 2701981; E312; CHEMBL16121; Lauryl Gallate(Dodecyl Gallate); 3,4,5-Trihydroxybenzoic acid, dodecyl ester; RPWFJAMTCNSJKK-UHFFFAOYSA-N; Gallic acid, dodecyl ester (8CI); NSC133463; 45612DY463; DSSTox_CID_28164; DSSTox_RID_82725; DSSTox_GSID_48189; W-108577; CAS-1166-52-5; dodecylgallat; dodecylgallate; Gallic acid-dodecyl ester; ACMC-1BX1I; SCHEMBL36820; Gallic acid, n-dodecyl ester; 4-10-00-02006 (Beilstein Handbook Reference); KSC492Q7J; BIDD:ER0314; Lauryl 3,5-trihydroxybenzoate; WLN: QR BQ CQ EVO12; DTXSID0048189; CTK3J2874; Dodecyl-3,4,5-trihydroxybenzoate; BCP15874; KS-00000X9I; n-Dodecyl 3,4,5-trihydroxybenzoate; Tox21_202724; Tox21_303487; ANW-16986; BDBM50093887; MFCD00002195; s6229; ZINC33861415; AKOS001482340; dodecyl 3,4,5-tris(oxidanyl)benzoate; GS-3008; MCULE-2416501697; NSC-133463; NCGC00257297-01; NCGC00260272-01; AK116033; CC-27349; LS-38402; SY048252; AX8126776; DB-108599; RT-001095; 3,4,5-Trihydroxy-benzoic acid dodecyl ester; Benzoic acid,4,5-trihydroxy-, dodecyl ester; FT-0626593; G0015; Lauryl gallate, analytical reference material; ST24030406; ST50826966; J10236; Lauryl gallate, antioxidant, >=99.0% (HPLC); A803659; C-34488; Q418209; 3,4,5-TRIHYDROXYBENZOIC ACID DODECYL ESTER; Dodecyl gallate, European Pharmacopoeia (EP) Reference Standard; 149030-04-6;",
"trade_name": "",
"abbrev_name": "",
"description": "the ester of dodecanol and gallic acid; food additive",
"molecular_formula": "C19H30O5",
"molecular_weight": "338.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "14425",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F01",
"F0108"
],
"references": [
"RC01909",
"RC02530",
"RC03151",
"RC03971"
]
},
{
"compound_ID": "D0901",
"name": "dodecylparaben",
"synonyms": "Dodecyl 4-hydroxybenzoate; 2664-60-0; Dodecyl p-hydroxybenzoate; n-Dodecyl 4-hydroxybenzoate; Dodecylparaben; Benzoic acid, 4-hydroxy-, dodecyl ester; p-Hydroxybenzoic acid dodecyl ester; p-Oxybenzoesaureduodecylester; EINECS 220-195-8; BENZOIC ACID, p-HYDROXY-, DODECYL ESTER; p-Oxybenzoesaureduodecylester [German]; NSC 309822; BRN 2739355; BAYSQTBAJQRACX-UHFFFAOYSA-N; 4-Hydroxybenzoic acid dodecyl ester; Laurylparaben; Lauryl 4-Hydroxybenzoate; dodecyl-4-hydroxybenzoate; ACMC-1CJL7; DSSTox_CID_27859; DSSTox_RID_82612; DSSTox_GSID_47883; KSC492M1T; CHEMBL486647; SCHEMBL1263037; DTXSID9047883; CTK3J2619; 4-Hydroxybenzoic Acid Lauryl Ester; KS-00000ZZ2; Tox21_200546; ANW-26031; NSC309822; ZINC49877946; AKOS016846133; ACM2664600; MCULE-7140219990; NSC-309822; NCGC00248692-01; NCGC00258100-01; AK135794; LS-37565; CAS-2664-60-0; AX8144054; RT-000834; FT-0767023; ST50826969; Benzoic acid, 4-hydroxy-, dodecyl ester (9CI); C-52774;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H30O3",
"molecular_weight": "306.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "17569",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01910",
"RC02531",
"RC03152"
]
},
{
"compound_ID": "D0902",
"name": "dodecylphenol",
"synonyms": "2-Dodecylphenol; 5284-29-7; 2-n-dodecylphenol; Phenol, dodecyl-; Dodecylphenol; o-Dodecylphenol; Dodecyl phenol; UNII-A40GZ9LVDV; A40GZ9LVDV; CYEJMVLDXAUOPN-UHFFFAOYSA-N; DSSTox_CID_7926; DSSTox_RID_78615; DSSTox_GSID_27926; CAS-27193-86-8; Phenol, o-dodecyl-; Phenol, 2-dodecyl-; Phenol,dodecyl-; 2-Laurylphenol; 2-Dodecylphenol #; J155.343G; ACMC-1B03O; 2-Dodecylphenol, AldrichCPR; SCHEMBL157630; CHEMBL3182374; CTK1A3971; CYEJMVLDXAUOPN-UHFFFAOYSA-; DTXSID00274042; ZINC2163620; Tox21_200164; Tox21_303360; ANW-31566; MFCD00039521; AKOS015912649; ACM5284297; NCGC00248547-01; NCGC00257413-01; NCGC00257718-01; TC-120311; D2302; FT-0613151; 284D297; Q27273595; UNII-07Y0JWH5OU component CYEJMVLDXAUOPN-UHFFFAOYSA-N; InChI=1/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H30O",
"molecular_weight": "262.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "171144",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01911",
"RC02532",
"RC03153"
]
},
{
"compound_ID": "D0903",
"name": "doramapimod;bibr-796?",
"synonyms": "Doramapimod; 285983-48-4; BIRB 796; BIRB-796; BIRB 796 (Doramapimod); BIRB796; UNII-HO1A8B3YVV; 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA; 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea; HO1A8B3YVV; BIRB-796 BS; CHEMBL103667; CHEBI:40953; MVCOAUNKQVWQHZ-UHFFFAOYSA-N; C31H37N5O3; 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea; 3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea; NCGC00241104-01; AK-51367; DSSTox_CID_28883; DSSTox_RID_83151; DSSTox_GSID_48957; 1-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea; 1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea; Q-101419; 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea; 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea; B96; CAS-285983-48-4; Doramapimod (USAN/INN); Doramapimod [USAN:INN]; Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-(4-(2-(4-morpholinyl)ethoxy)-1-naphthalenyl)-; Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]-; Kinome_2137; PubChem18416; 1kv2; BIRB 796,Doramapimod; diaryl urea compound 10; Doramapimod, BIRB-796; BIRB-796-(Doramapimod); Doramapimod (BIRB 796); Doramapimod (BIRB-796); 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl)urea; BIRB 796BS; MLS006010153; BIRB 796 BS; SCHEMBL129721; BIBR-796; cid_156422; GTPL5668; DTXSID2048957; BDBM13533; BIRB 0796; BIRB-0796; CTK8F0049; KS-00000XIY; KS-00001PQT; AOB1672; BCPP000333; HMS3655C07; HMS3747G11; BCP01896; BIRB-796, 3; Tox21_113386; s1574; ZINC24044436; AKOS005256489; Tox21_113386_1; BCP9000416; CS-0219; DB03044; KIN0000097; SB16634; 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea; NCGC00241104-02; NCGC00241104-07; 4CA-0473; AC-24379; AS-19375; HY-10320; SC-19868; SMR004458704; US8933228, BIRB 796; ZINC000024044436; AB0033708; AX8126847; RT-012412; ST2406821; FT-0667779; SW219700-1; X7401; D03736; S-7738; A819503; SR-00000002531; SR-00000002531-1; BRD-K74065929-001-01-5; Q27077098; CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=C2C=CC=CC2=C(OCCN2CCOCC2)C=C1)C(C)(C)C; 1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea; 3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea; N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]- N'-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]-urea; N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea; N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C31H37N5O3",
"molecular_weight": "527.7",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "156422",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01912",
"RC02533",
"RC03154"
]
},
{
"compound_ID": "D0904",
"name": "doramectin",
"synonyms": "Doramectin; 117704-25-3; UNII-KGD7A54H5P; KGD7A54H5P; Doramectine; Dectomax; Doramectine [INN-French]; Doramectinum [INN-Latin]; Doramectina [INN-Spanish]; Doramectin [USAN:INN:BAN]; HSDB 7452; Doramectina; Doramectinum; C50H74O14; UK 67994; UK 67,994; Avermectin A1a, 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-; NCGC00185761-01; Cyclohexylavermectin B1; UK-67994; UK-67,994; EC 601-490-4; DSSTox_CID_28908; DSSTox_RID_83176; DSSTox_GSID_48982; SCHEMBL118775; Avermectin A(sub 1a), 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-; CHEMBL2361641; DTXSID9048982; (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-6'-cyclohexyl-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3; Tox21_113442; s5117; AKOS005146234; Doramectin 100 microg/mL in Methanol; ZINC238809351; ZINC245253793; CS-0736; DB11400; AC-27772; AS-17466; HY-17035; AB0125563; CAS-117704-25-3; V0254; W-5195; 704D253; Doramectin, Antibiotic for Culture Media Use Only; Q-201041; (1'R,2S,4'S,5S,6R,8'R,10'E,12'R,13'S,14'E,20'R,21'R,24'S)-6-Cyclohexyl-21',24'-dihydroxy-12'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy)-4-methoxy-6-methyloxan-2-yl)oxy)-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro(pyran-2,6'-tetracyclo(15.6.1.14,8.020,24)pentacosane)-10',14',16',22'-tetraen-2'-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C50H74O14",
"molecular_weight": "899.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9832750",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01913",
"RC02534",
"RC03155"
]
},
{
"compound_ID": "D0905",
"name": "ebselen",
"synonyms": "ebselen; 60940-34-3; 2-Phenyl-1,2-benzisoselenazol-3(2H)-one; 2-phenyl-1,2-benzoselenazol-3-one; Ebselene; Ebseleno; Ebselenum; SPI-1005; Ebselene [French]; Ebselenum [Latin]; Ebselen [INN]; Ebseleno [Spanish]; PZ 51; 2-phenylbenzo[d][1,2]selenazol-3(2H)-one; Harmokisane; PZ-51; C13H9NOSe; DR-3305; MLS000028488; UNII-40X2P7DPGH; CCRIS 3714; PZ51; 1,2-Benzisoselenazol-3(2H)-one, 2-phenyl-; 2-Phenyl-1,2-benzisoselenazolin-3-one; SMR000058445; 2-phenyl-1,2-benzoisoselenazol-3(2H)-one; CHEMBL51085; NSC 639762; DR 3305; Prestwick_1057; RP 60931; SPI-3005; Prestwick0_000740; Prestwick1_000740; Prestwick2_000740; Prestwick3_000740; Spectrum2_001441; Spectrum3_000799; Spectrum4_000445; Spectrum5_001713; Lopac-E-3520; NSC639762; 40X2P7DPGH; Lopac0_000541; NCGC00015412-06; BSPBio_000700; BSPBio_001342; BSPBio_002538; CPD000058445; KBioGR_000062; KBioGR_000830; KBioSS_000062; DivK1c_000951; SPBio_001301; SPBio_002639; CAS-60940-34-3; MLS001148646; BPBio1_000770; BCBcMAP01_000149; CHEBI:77543; HMS502P13; KBio1_000951; KBio2_000062; KBio2_002630; KBio2_005198; KBio3_000123; KBio3_000124; KBio3_001758; NINDS_000951; DYEFUKCXAQOFHX-UHFFFAOYSA-N; E 3520; Bio2_000062; Bio2_000542; HMS1361D04; HMS1570C22; HMS1791D04; HMS1989D04; HMS2052N09; CCG-39161; DR3305; NSC-639762; AC-1124; IDI1_000951; IDI1_033812; QTL1_000035; NCGC00015412-01; NCGC00015412-02; NCGC00015412-03; NCGC00015412-13; NCGC00024072-03; NCGC00024072-04; NCGC00024072-05; NCGC00178610-01; NCGC00178610-02; NCGC00178610-03; 2-phenyl-1,2-benzoselenazol-3(2h)-one; AK115695; LS-33527; SAM001247071; AB00053217; EU-0100541; MLS-0003066.0001; BRD-K29359156-001-06-1; SR-01000003081; AC1L1FDW; CID3194; Ebselen (C5); Ebselen, 99%; nchembio.109-comp1; Opera_ID_1643; Ebselen, cysteine modifier; cid_3194; DSSTox_CID_25150; DSSTox_RID_80704; C042986; DSSTox_GSID_45150; SCHEMBL33829; MLS001424261; MLS006010108; E3520_SIGMA; I09-1611; DTXSID7045150; BDBM34233; CTK7H1817; CHEBI:175507; HMS2097C22; HMS2235A11; HMS3394N09; HMS3402D04; HMS3649O05; HMS3714C22; KUC112559N; Pharmakon1600-01501188; BCP17134; EX-A1447; KS-00000G4G; Tox21_110140; 2-Phenyl-benzo[d]isoselenazol-3-one; BN0569; DAP001372; GP4285; MFCD00210937; NSC757883; AKOS015898841; API0002512; CS-5534; DB12610; LP00541; NC00431; NSC-757883; TRA0091838; KSC-325-014; NCGC00015412-04; NCGC00015412-05; NCGC00015412-07; NCGC00015412-08; NCGC00015412-09; NCGC00015412-10; NCGC00015412-11; NCGC00015412-12; phenyl-1,2-benzisoselenazol-3(2H)-one; 2-phenyl-1,2-benzisoselazol-3(2H)-one; HY-13750; SBI-0050524.P003; 2-phenyl-1,2-benzisoselenazole-3(2H)-one; AB0020911; AX8127093; DB-072873; 2-phenyl-1,2-benzoisoselenazole-3(2H)-one; E0946; FT-0759332; V1941; 2-phenyl-1,2-benzoisoselenazole-3-(2H)-one; 2-Phenyl-benzo[d]isoselenazol-3-one(Ebselen); AB00053217_25; 940E343; Q5332073; SR-01000003081-2; SR-01000003081-7; SR-01000003081-8; BRD-K29359156-001-23-6; SR-01000003081-10; SR-01000003081-14;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H9NOSe",
"molecular_weight": "274.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3194",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01914",
"RC02535",
"RC03156"
]
},
{
"compound_ID": "D0906",
"name": "emodin",
"synonyms": "emodin; 518-82-1; Emodol; Frangula emodin; Schuttgelb; Rheum emodin; Frangulic acid; 1,3,8-trihydroxy-6-methylanthracene-9,10-dione; 3-Methyl-1,6,8-trihydroxyanthraquinone; Archin; Persian Berry Lake; 1,3,8-Trihydroxy-6-methylanthraquinone; 6-Methyl-1,3,8-trihydroxyanthraquinone; 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-; 1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone; C.I. Natural Yellow 14; 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione; 4,5,7-Trihydroxy-2-methylanthraquinone; UNII-KA46RNI6HN; C.I. 75440; NSC 408120; NSC 622947; Emodin-d4; CCRIS 3528; HSDB 7093; Anthraquinone, 1,3,8-trihydroxy-6-methyl-; EINECS 208-258-8; NSC408120; KA46RNI6HN; BRN 1888141; AI3-38286; CHEMBL289277; Anthraquinone, 6-methyl-1,3,8-trihydroxy-; CHEBI:42223; 1,3,8-Trihydroxy-6-methylanthra-9,10-quinone; RHMXXJGYXNZAPX-UHFFFAOYSA-N; NSC622947; AK160242; 1,3,8-tri-hydroxy-6-methyl-anthra-quinone; Emodin, 95%, tech.; DSSTox_CID_5231; DSSTox_RID_77709; 6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione; DSSTox_GSID_25231; EMO; Q-100581; 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI); 1,8-Trihydroxy-6-methylanthraquinone; CAS-518-82-1; SMR000326798; SR-01000075615; Embodin; Emdoin; rheum emodium; Frangula-emodin; Rheum-emodin; Frangulinic acid; 3bqc; persian b erry lake; Emodin,(S); 132796-52-2; Spectrum_001954; 1f0q; 3ed0; SpecPlus_000332; Spectrum2_000895; Spectrum3_000742; Spectrum4_001757; Spectrum5_000614; Lopac-E-7881; Emodin, analytical standard; NCIMech_000049; Lopac0_000552; BSPBio_002324; KBioGR_002234; KBioSS_002508; 1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione; MLS000563068; MLS001066370; MLS004257392; MLS006011712; DivK1c_006428; SCHEMBL177689; SPBio_000710; LS-3; MEGxp0_000460; DTXSID5025231; ACon1_001939; BDBM11318; CTK5B1649; KBio1_001372; KBio2_002500; KBio2_005068; KBio2_007636; KBio3_001544; KS-00000MGZ; HMS2230K22; HMS3261P05; HMS3373B16; HMS3655H22; 1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione; ACT03256; BCP18372; TNP00318; ZINC3824868; 9, 1,3,8-trihydroxy-6-methyl-; Tox21_202999; Tox21_303218; Tox21_500552; BS0075; CCG-35263; CE-131; CE0035; GP5697; LMPK13040008; MFCD00001207; s2295; SBB066133; 3-Methyl-1,8-trihydroxyanthraquinone; 4,7-Trihydroxy-2-methylanthraquinone; AKOS003348641; AC-1004; CS-1412; DB07715; KS-5189; LP00552; MCULE-1083063386; NSC-408120; NSC-622947; Anthraquinone,3,8-trihydroxy-6-methyl-; SMP2_000211; NCGC00015420-01; NCGC00015420-02; NCGC00015420-03; NCGC00015420-04; NCGC00015420-05; NCGC00015420-06; NCGC00015420-07; NCGC00015420-08; NCGC00015420-09; NCGC00091540-01; NCGC00091540-02; NCGC00091540-03; NCGC00091540-04; NCGC00091540-05; NCGC00257090-01; NCGC00260544-01; NCGC00261237-01; 1,3,8-Trihydroxy-6-methyl-anthraquinone; ACM132796522; HY-14393; M371; NCI60_003906; SC-19533; ST055355; AB0015178; AB1010271; AX8006309; TR-018464; 6-methyl-1,3,8-tri-hydroxy-anthra-quinone; E0500; EU-0100552; FT-0606539; N1854; ST24046678; SW219906-1; 1,8-Trihydroxy-6-methyl-9,10-anthraquinone; Emodin, from Frangula bark, >=90% (HPLC); 1,3,8-Tihydroxy-6-methyl-9,10-anthraquinone; A-2578; C10343; E 7881; J10081; K00056; Emodin; 6-Methyl-1,3,8-trihydroxyanthraquinone; 1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone; 1,3,8-Trihydroxy-6-methylanthra-9,10-quinone #; 1,6,8-trihydroxy-3-methylanthracene-9,10-dione; 518E821; A828825; Anthraquinone, 1,3,8-trihydroxy-6-methyl- (8CI); Q4348178; SR-01000075615-1; SR-01000075615-6; 3-methyl-1,6,8-tris(oxidanyl)anthracene-9,10-dione; BRD-K58685305-001-03-0; 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 9CI; 1,3,8-TRIHYDROXY-6-METHYL-9-10-ANTHRACENEDIONE; Emodin, United States Pharmacopeia (USP) Reference Standard; (RS)-2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione; 120667-83-6;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C15H10O5",
"molecular_weight": "270.24",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3220",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01915",
"RC02536",
"RC03157"
]
},
{
"compound_ID": "D0907",
"name": "endosulfan sulfate",
"synonyms": "ENDOSULFAN SULFATE; Endosulfan sulphate; 1031-07-8; Thiodan sulfate; 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide; 5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate; 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide; HSDB 6180; 6749-25-3; endosulfansulfate; Endosulphan sulphate; Endosulfan metabolite; DSSTox_CID_17541; DSSTox_RID_79332; DSSTox_GSID_37541; SCHEMBL630451; CHEMBL2272380; DTXSID3037541; AAPVQEMYVNZIOO-UHFFFAOYSA-N; Tox21_300782; NCGC00248167-01; NCGC00254686-01; LS-97225; CAS-1031-07-8; 5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachoro-, cyclic; (1R, 9S)-1,9,10,11,12,12,-hexachloro-4,6-dioxa-5-tiatricyclododec-10-ene-5,5-dioxide; 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide; 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3H-6,9-methano-3lambda~6~-2,4,3lambda~6~-benzodioxathiepine-3,3-dione;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C9H6Cl6O4S",
"molecular_weight": "422.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "13940",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01916",
"RC02537",
"RC03158"
]
},
{
"compound_ID": "D0908",
"name": "endrin",
"synonyms": "ENDRIN; Endricol; Endrex; Mendrin; Nendrin; Oktanex; Endrin isomer; Compound 269; Stardrin; Hexadrin; Endrine [French]; Rcra waste number P051; Stardrin 20; Endrin 20 EC; Experimental insecticide 269; Caswell No. 423; Endrin and metabolites; Latka 269; Endrin mixture; Latka 269 [Czech]; UNII-OB9NVE7YCL; OMS 197; EN 57; NCI-C00157; 72-20-8; Endrine; CCRIS 276; ENT 17,251; SD 3419; HSDB 198; OB9NVE7YCL; NSC 8935; EINECS 200-775-7; RCRA waste no. D013; RCRA waste no. P051; EPA Pesticide Chemical Code 041601; BRN 0091397; Hexachloroepoxyoctahydro-endo,endo-dimethanonaphthalene; AI3-17251; 3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene; 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene; DSSTox_CID_561; DSSTox_RID_75660; DSSTox_GSID_20561; (1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene; (1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene; 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-; 2,7:3,6-Dimethanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-; 3,4,5,6,9,9-Hexachloro-1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene; Hexachloroepoxyoctahydro-endo,endo-dimethanonapthalene; CAS-72-20-8; SD 3419 Illoxol; 1,2,3,4,10,10-HEXACHLORO-6,7-EPOXY-1,4,4A,5,6,7,8,8A-OCTAHYDRO-ENDO,ENDO-,1,4:5,8-DIMETHANONAPHTHALENE; Endrin [ISO]; experimental insecticide no. 269; NCGC00091352-02; (1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-Dimethanonaphth[2,3-b]oxirene; (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene; 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1a.alpha.,2.beta.,2a.beta.,3.alpha.,6.alpha.,6a.beta.,7.beta.,7a.alpha.)-; rel-(1aR,2R,2aR,3R,6S,6aS,7S,7aS)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene; Endrin 1.6 EC; Cmpd. 269; 4-17-00-00525 (Beilstein Handbook Reference); Endrin microg/mL in Cyclohexane; CHEMBL2356732; DTXSID6020561; DFBKLUNHFCTMDC-GKRDHZSOSA-N; (3R,6S)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene; 2,7:3,6-Dimethanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-; Endrin 100 microg/mL in Isooctane; Tox21_111120; Tox21_300613; Endrin 10 microg/mL in Acetonitrile; LS-1613; NA 2761; NCGC00248106-01; NCGC00254373-01; Q423354; (1R,4S,5R,8S)-1,2,3,4,10,10-hexachloro-1,4, 4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene; (1R,4S,5R,8S)-1,2,3,4,10,10-hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,endo-5,8-dimethanonaphthalene; 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-endo-5,8-dimethano-naphthalene; 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphth alene; 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-6,7-Epoxy-1,4,4a,5,6,7,8,8a-octahydro-exo-1,4-exo-5,8-dimethanonaphthalene; 2,7:3,6-Dimethanonaphth(2,3-b)oxirane, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,3alpha,6alpha,6abeta,7beta, 7aalpha)-; 2,7:3,6-Dimethanonaphth(2,3-b)oxirane, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,3alpha,6alpha,6abeta,7beta,7aalpha)-; 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aI+/-,2I(2),2aI(2),3I+/-,6I+/-,6aI(2),7I(2),7aI+/-)-; 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene, (1aA, 2B,2aB,3A,6A,6aB,7B,7aA)-; 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene, (1aA,2B,2aB,3A,6A,6aB,7B,7aA)-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C12H8Cl6O",
"molecular_weight": "380.9",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "12358480",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01917",
"RC02538",
"RC03159"
]
},
{
"compound_ID": "D0909",
"name": "enterolactone",
"synonyms": "Enterolactone; 78473-71-9; Enterolakton; (+/-)-enterolactone; (-)-Enterolactone; DSSTox_CID_28157; DSSTox_RID_82719; DSSTox_GSID_48183; SCHEMBL121287; CHEMBL471475; DTXSID0048183; ZINC388658; Tox21_303555; 1752AH; API0002555; NCGC00257338-01; CAS-78473-71-9; FT-0667869; Q3055376; (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one; (3R,4R)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one; UNII-X01E7E1D6H component HVDGDHBAMCBBLR-WMLDXEAASA-N; (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]tetrahydrofuran-2-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H18O4",
"molecular_weight": "298.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10685477",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01918",
"RC02539",
"RC03160"
]
},
{
"compound_ID": "D0910",
"name": "eprinomectin (b1a, b1b mixture)",
"synonyms": "Eprinomectin B1a; DSSTox_CID_28903; NCGC00183133-01; DSSTox_RID_82879; DSSTox_RID_83171; DSSTox_GSID_48683; DSSTox_GSID_48977; CHEMBL264188; DTXSID0048977; Eprinomectin (B1a, B1b mixture); 133305-88-1; Tox21_113068; Tox21_113434; CAS-133305-88-1; CAS-1142337-10-7;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C50H75NO14",
"molecular_weight": "914.1",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "44460585",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01919",
"RC02540",
"RC03161"
]
},
{
"compound_ID": "D0911",
"name": "equilin",
"synonyms": "equilin; 7-Dehydroestrone; 474-86-2; Dihydroequilenin; 3-HYDROXYESTRA-1,3,5(10),7-TETRAEN-17-ONE; 1,3,5,7-Estratetraen-3-ol-17-one; Equilin [USP]; UNII-08O86EX0J4; MLS000028624; CHEBI:42309; WKRLQDKEXYKHJB-HFTRVMKXSA-N; 08O86EX0J4; 3-Hydroxyoestra-1,3,5(10),7-tetraen-17-one; Equilin (USP); SMR000058656; 3-hydroxy-estra-1,3,5(10),7tetraen-17-one; CCRIS 9074; EINECS 207-488-6; NSC 10971; BRN 2624302; (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one; Estra-1,3,5(10),7-tetraen-17-one,3-hydroxy-; CAS-474-86-2; Prestwick_219; Opera_ID_780; Prestwick0_000850; Prestwick1_000850; Prestwick2_000850; Prestwick3_000850; DSSTox_CID_27433; DSSTox_RID_82343; DSSTox_GSID_47433; BSPBio_000839; 4-08-00-01366 (Beilstein Handbook Reference); MLS001148117; SCHEMBL124758; SPBio_002760; BPBio1_000923; CHEMBL323533; DTXSID7047433; CTK4J0031; HMS1570J21; HMS2097J21; HMS2233A16; HMS3714J21; HY-B1176; NSC10971; Tox21_302641; 1,5,7-Estratetraen-3-ol-17-one; BDBM50423544; LMST02010026; NSC-10971; AKOS024285096; ZINC100031739; CCG-220850; CS-4786; DB02187; NCGC00179406-01; NCGC00256728-01; ST081365; Equilin, VETRANAL(TM), analytical standard; FT-0632181; 3-Hydroxyestra-1,5(10),7-tetraen-17-one; WLN: L E5 B666 FV JUTTT&J E1 OQ; C14392; D04041; S00287; 3-hydroxy-estra-1,3,5(10), 7-tetraen-17-one; 3-hydroxy-estra-1,3,5(10),7-tetraen-17-one; Estra-1,5(10),7-tetraen-17-one, 3-hydroxy-; SR-01000721841; Q5384492; SR-01000721841-2; BRD-K04046242-001-03-6; 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one (9CI); Equilin, European Pharmacopoeia (EP) Reference Standard; Equilin, United States Pharmacopeia (USP) Reference Standard; Equilin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; (11aS,6bS,8aS)-4-hydroxy-8a-methyl-2,7,8,10,11,11a,6b,8a-octahydrocyclopenta[1 ,2-a]phenanthren-9-one; (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,13,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17(14H)-one; Equilin; 7-Dehydroestrone; 3-Hydroxy-1,3,5(10),7-estratetraen-17-one; 1,3,5(10),7-Estratetraen-3-ol-17-one;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H20O2",
"molecular_weight": "268.3",
"state": "solid",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "90% bound to plasma proteins",
"half_life": "",
"absorption": "Well absorbed.",
"cid": "223368",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01920",
"RC02541",
"RC03162"
]
},
{
"compound_ID": "D0912",
"name": "ergotamine d-tartrate",
"synonyms": "ergotamine tartrate; Ergotamine D-tartrate; Ergotamine bitartrate; UNII-MRU5XH3B48; 379-79-3; Gynergen; MRU5XH3B48; Cornutamin; Ergotartrate; Migretamine; Exmigra; Femergin; Lingraine; Lingran; Secagyn; Secupan; Wigrettes; Avetol; Ergate; Ergam; Neo-ergotin; Gotamine tartrate; Medihaler ergotamine; Ergomar; Ergostat; Rigetamin; Ergotamine hemitartrate; DSSTox_CID_5253; Ergotamine tartrate (VAN); ETIN; DSSTox_RID_77717; DSSTox_GSID_25253; CCRIS 487; Ergotamine, tartrate (2:1); EINECS 206-835-9; Ergotamine tartrate (2:1) (salt); NSC 41869; CAS-379-79-3; NCGC00091935-01; Ergotamine tartrate [USP:JAN]; Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt); Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt); DEA Code 8676; SCHEMBL134885; CHEMBL2131781; DTXSID3025253; Tox21_111183; Tox21_201705; Tox21_303182; Telomerase Inhibitor IX and MST-312; NCGC00257225-01; NCGC00259254-01; Ergotamine, tartrate (2:1) (salt) (8CI); Ergotamine D-tartrate, tested according to Ph.Eur.; Q27284199; Ergotamine D-tartrate, >=97.0% (calc. based on dry substance, NT); Ergotamine tartrate, European Pharmacopoeia (EP) Reference Standard; Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1); Ergotamine tartrate, United States Pharmacopeia (USP) Reference Standard, monograph mol wt. 1313.41 ((C33H35N5O5)2 ?? C4H6O6);",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C70H76N10O16",
"molecular_weight": "1313.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "9787",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01921",
"RC02542",
"RC03163"
]
},
{
"compound_ID": "D0913",
"name": "estradiol acetate",
"synonyms": "Estradiol acetate; Femring; Estradiol 3-acetate; Estradiol-3-acetate; UNII-5R97F5H93P; 4245-41-4; Estradiol acetate [USAN]; Menoring; FHXBMXJMKMWVRG-SLHNCBLASA-N; 5R97F5H93P; 3-O-Acetylestradiol; E3A; Estradiol, 3-acetate; Femtrace; beta-Estradiol 3-acetate; Estradiol acetate (USAN); 17beta-Estradiol 3-acetate; DSSTox_CID_25867; DSSTox_RID_81186; DSSTox_GSID_45867; E 3A; CAS-4245-41-4; 3-Acetoxyestra-1,3,5(10)-trien-17beta-ol; 17beta-Hydroxy-3-acetoxyestra-1,3,5(10)-triene; Estra-1,3,5(10)-triene-3,17beta-diyl 3-acetate; Femring (TN); 17beta-Hydroxyestra-1,3,5(10)-trien-3-yl acetate; 17-beta-Estradiol-acetate; Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, 3-acetate; SCHEMBL148561; CHEMBL1200430; DTXSID7045867; CHEBI:135981; Tox21_111359; Tox21_113661; DB13952; NCGC00249885-01; D04061; 3-Acetoxy-oestra-1,3,5(10)-trien-17beta-ol; 3-(Acetyloxy)estra-1,3,5(10)-trien-17.beta.-ol; Q27262772; Estra-1,3,5(10)-triene-3,17-diol, (17 beta)-, 3-acetate;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H26O3",
"molecular_weight": "314.4",
"state": "",
"clearance": "",
"volume_of_distribution": "The distribution of exogenous estrogens is similar to that of endogenous estrogens. Estrogens are widely distributed in the body and are generally found in higher concentrations in the sex hormone target organs [FDA Label].",
"route_of_elimination": "Estradiol, estrone and estriol are excreted in the urine along with glucuronide and sulfate conjugates.",
"protein_binding": "Estrogens circulate in the blood largely (>95%) bound to sex hormone binding globulin (SHBG) and to albumin [FDA Label].",
"half_life": "",
"absorption": "Drug delivery from Femring is rapid for the first hour and then declines to a relatively constant rate for the remainder of the 3-month dosing interval. Estradiol acetate is rapidly hydrolyzed to estradiol which is absorbed through the vaginal mucosa as evidenced by the mean time to maximum concentration (tmax) for estradiol of about 1 hour (range 0.25 to 1.5 hrs). Following the maximum concentration (Cmax=1129pg/mL), serum estradiol decreases rapidly such that by 24 to 48 hours postdose, serum estradiol concentrations are relatively constant through the end of the 3-month dosing interval [FDA Label].",
"cid": "9818306",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Drug",
"drug_type": "",
"target": [
"T001",
"T002",
"T408"
],
"function": [
"F0108",
"F0201",
"F0303"
],
"references": [
"RC01922",
"RC02543",
"RC03164",
"RC04033",
"RC04157",
"RC04281",
"RC04405",
"RC04529"
]
},
{
"compound_ID": "D0914",
"name": "estradiol phosphate",
"synonyms": "Estradiol phosphate; Polyestradiol phosphate; Estradiol 17-phosphate; UNII-SKL7PDP588; SKL7PDP588; CHEMBL1642763; 17-beta-Estra 1,3,5(10)-triene-3,17-diol, 17-dihydrogen phosphate, homopolymer; 34828-67-6; 4995-43-1; DSSTox_CID_25086; DSSTox_RID_80661; DSSTox_GSID_45086; SCHEMBL1526469; DTXSID6045086; Tox21_110018; BDBM50333647; Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(dihydrogen phosphate); NCGC00013235-01; LS-64769; NCI60_001525; CAS-4995-43-1; Q27289257;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H25O5P",
"molecular_weight": "352.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "66435",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01923",
"RC02544",
"RC03165"
]
},
{
"compound_ID": "D0915",
"name": "ethacridine lactate hydrate",
"synonyms": "6402-23-9; Ethacridine lactate monohydrate; Ethacridine lactate hydrate; Acrinol Monohydrate; Ethodin; Ethacridine (lactate monohydrate); Ethacridine lactate salt; UNII-V5IL571C1T; DSSTox_CID_26274; DSSTox_RID_81501; DSSTox_GSID_46274; 6,9-Diamino-2-ethoxyacridine lactate monohydrate, 95%; 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid;hydrate; V5IL571C1T; Rivanol monohydrate; CAS-6402-23-9; NCGC00096056-02; NCGC00160650-01; MFCD00149646; C15H15N3O.C3H6O3.H2O; Antidiar 200 (TN); Acrinol hydrate (JP17); ethacridine-lactate-monohydrate; Ethacriaine lactate monohydrate; Scridine, 6,9-diamino-2-ethoxy-, lactate, hydrate; SCHEMBL1649444; CHEMBL2355915; DTXSID0046274; CTK5F0708; HMS3652N09; 7-ethoxyacridine-3,9-diamine; 2-hydroxypropanoic acid; hydrate; HY-B0889; Tox21_111957; 6284AF; ANW-43669; s4196; 3,9-Acridinediamine, 7-ethoxy-, mono(2-hydroxypropanoate), monohydrate; AKOS015902425; Lactic acid, compd. with 6,9-diamino-2-ethoxyacridine (1:1), monohydrate; Tox21_111957_1; CS-4352; KS-5319; Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine (1:1), monohydrate; FT-0625720; SW219258-1; D01248; AB01568268_01; A812816; 6,9-Diamino-2-ethoxyacridine-DL-lactate monohydrate; Q27291559; 6,9-Diamino-2-ethoxyacridine-DL-lactate monohydrate, 99%; 7-ethoxyacridine-3,9-diamine; 2-oxidanylpropanoic acid; hydrate; 2-hydroxypropanoic acid- 7-ethoxyacridine-3,9-diamine hydrate(1:1:1); 83454-01-7;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C18H23N3O5",
"molecular_weight": "361.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "165457",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01924",
"RC02545",
"RC03166"
]
},
{
"compound_ID": "D0916",
"name": "ethalfluralin",
"synonyms": "ETHALFLURALIN; Sonalan; 55283-68-6; Ethafluralin; Buvilan; Edge; Compound 94961; Caswell No. 453B; UNII-51DKA727XQ; EL 161; Ethalfluraline [ISO-French]; Ethalfluralin [ANSI:BSI:ISO]; EINECS 259-564-3; EL-161; EPA Pesticide Chemical Code 113101; BRN 2907084; N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine; 51DKA727XQ; CHEBI:81988; Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-; N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline; N-ethyl-N-(2-methylallyl)-2,6-dinitro-4-(trifluoromethyl)aniline; N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine; Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-; Ethalfluraline; N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline; p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-; HSDB 7545; Sonalen (Salt/Mix); DSSTox_CID_12386; DSSTox_RID_78933; DSSTox_GSID_32386; SCHEMBL55014; CHEMBL1256703; DTXSID8032386; CTK8F9512; PTFJIKYUEPWBMS-UHFFFAOYSA-N; EL161; ZINC5315937; Tox21_301082; AKOS015888387; NCGC00163893-01; NCGC00163893-02; NCGC00163893-03; NCGC00254983-01; Ethalfluralin 10 microg/mL in Cyclohexane; CAS-55283-68-6; LS-154371; FT-0728331; C18827; Ethalfluralin, PESTANAL(R), analytical standard; 283E686; C-56162; Q22807464; (2,6-Dinitro-4-(trifluoromethyl)phenyl)ethyl(2-methylprop-2-enyl)amine; N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)aniline #; N-ethyl-N-(2-methylprop-2-en-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline; p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-.alpha.,.alpha.,.alpha.-trifluoro-;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H14F3N3O4",
"molecular_weight": "333.26",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "41381",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01925",
"RC02546",
"RC03167"
]
},
{
"compound_ID": "D0917",
"name": "ethanol, 2,2'-((1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy))bis-",
"synonyms": "4162-45-2; 4,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]; Tetrabromobisphenol A bis(2-hydroxyethyl) ether; UNII-Y6AMX5NV4O; Y6AMX5NV4O; 2,2-Bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane; 4,4-isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]; 4,4'-Isopropylidenebis(2-(2,6-dibromophenoxy)ethanol); Ethanol, 2,2'-((1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy))bis-; Ethanol, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxy]]bis-; 4,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol; 2,2-Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propane; Ethoxylated tetrabromobisphenol A; 4,4-isopropylidenebis(2-(2,6-dibromophenoxy)ethanol); 4,4'-Isopropylidenebis(2-[2,6-dibromophenoxy]ethanol); FIRE GUARD 3600; C19H20Br4O4; 2-(4-{1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-isopropyl}-2,6-dibromophenoxy) ethan-1-ol; EINECS 224-005-4; ACMC-1CU6U; 2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol; DSSTox_CID_18922; DSSTox_RID_79418; DSSTox_GSID_38922; SCHEMBL25899; CHEMBL216852; DTXSID4038922; CTK4I5044; RVHUMFJSCJBNGS-UHFFFAOYSA-N; ZINC4261836; Tox21_301731; SBB057246; Tetrabromobisphenol A bis(ethoxylate); AKOS015916543; ACM4162452; FG-3600; MCULE-5498911117; NCGC00255549-01; P303; CAS-4162-45-2; TC-169205; FT-0723919; O,O-Bis(2-hydroxyethyl)tetrabromobisphenol A; ST50997570; Tetrabromobisphenol A-di(2-hydroxyethyl) ether; C-34520; Q27294316; 4,4\\'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]; 4,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol], 98%; 2,2'-{propane-2,2-diylbis[(2,6-dibromobenzene-4,1-diyl)oxy]}diethanol; 2,2'-(4,4'-(propane-2,2-diyl)bis(2,6-dibromo-4,1-phenylene))bis(oxy)diethanol; 2-(2,6-Dibromo-4-(1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-methylethyl)phenoxy)ethanol #; 2-[2,6-dibromo-4-[1-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]-1-methyl-ethyl]phenoxy]ethanol;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C19H20Br4O4",
"molecular_weight": "632",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "20113",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01926",
"RC02547",
"RC03168"
]
},
{
"compound_ID": "D0918",
"name": "ethoxazene",
"synonyms": "Ethoxazene; Etoxazene; Serenium; Diamazol; Carmurit; Cystural; Diaphenyl; Pyraseptic; Salvuron; Urocarmin; 94-10-0; Cystural B; p-Ethoxychrysoidine; P-ETHOXYCHRYSOIDIN; Acidotest; Chrysoidine, 4'-ethoxy-; Etoxazene [INN]; p-Ethoxy-2,4-diaminoazobenzene; Etoxazenum [INN-Latin]; 2,4-Diamino-4'-ethoxyazobenzene; 4'-Ethoxy-2,4-diaminoazobenzene; Etoxazeno [INN-Spanish]; 4-p-Phenetylazo-m-phenylenediamine; SN 612; UNII-U1T1YZ4796; C14H16N4O; S. N. 612; EINECS 202-304-0; NSC 190374; BRN 1843191; 4-(p-Ethoxyphenylazo)-m-phenylenediamine; U1T1YZ4796; NCGC00160548-01; m-Phenylenediamine, 4-(p-ethoxyphenylazo)-; Serenium hydrochloride; Etoxazenum; Etoxazeno; NSC7214; p-Athoxychrysoidin; 4-(p-Ethoxyphenylazo)-m-phenylenediamine, hydrochloride; 4-Ethoxychrysoidine; 1,3-Benzenediamine, 4-((4-ethoxyphenyl)azo)-; DSSTox_CID_26223; DSSTox_RID_81450; 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine; DSSTox_GSID_46223; SCHEMBL27116; SCHEMBL27117; 4-16-00-00562 (Beilstein Handbook Reference); MLS006010006; WLN: ZR CZ DNUNR DO2; 1,3-Benzenediamine,4-[2-(4-ethoxyphenyl)diazenyl]-; CHEMBL1360840; CHEMBL2356984; DTXSID5046223; 1, 4-[(4-ethoxyphenyl)azo]-; CHEBI:135053; ZINC4215852; Tox21_111891; 6202AF; NSC190374; ZINC12405254; AKOS003621149; AKOS032958017; ZINC100028841; MCULE-2170996711; NSC-190374; CAS-94-10-0; SC-83426; SMR004701088; 4-(4-ethoxyphenyl)azobenzene-1,3-diamine; 4-[(p-Ethoxyphenyl)azo]-m-phenylenediamine; LS-105863; m-Phenylenediamine, 4-[(p-ethoxyphenyl)azo]-; 4-((4-Ethoxyphenyl)diazenyl)-1,3-benzenediamine; 4-[(E)-(4-ethoxyphenyl)azo]benzene-1,3-diamine; A816586; SR-01000944445; SR-01000944445-1; (E)-4-((4-ethoxyphenyl)diazenyl)benzene-1,3-diamine; 4-(4-ETHOXY-PHENYLAZO)-BENZENE-1,3-DIAMINE; Q27290563; 1,3-Benzenediamine, 4-((4-ethoxyphenyl)azo)- (9CI); 4-[(E)-(4-Ethoxyphenyl)diazenyl]-1,3-benzenediamine-; {4-[(p-Ethoxyphenyl)azo]-m-phenylenediamine} hydrochloride; {4-[(p-Ethoxyphenyl)azo]-m-phenylenediamine} monohydrochloride; m-Phenylenediamine, {4-[(p-ethoxyphenyl)azo]-,} monohydrochloride; 1, 3-Benzenediamine, {4-[(4-ethoxyphenyl)azo]-,} monohydrochloride;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C14H16N4O",
"molecular_weight": "256.3",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "16837",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01927",
"RC02548",
"RC03169"
]
},
{
"compound_ID": "D0919",
"name": "ethyl linolenate",
"synonyms": "Ethyl linolenate; 1191-41-9; Linolenic acid, ethyl ester; (9Z,12Z,15Z)-Ethyl octadeca-9,12,15-trienoate; Linolenic acid ethyl ester; UNII-T54Y8H042V; Ethyl (Z,Z,Z)-9,12,15-octadecatrienoate; EINECS 214-734-6; NSC 607760; Ethyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate; 9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)-; CHEBI:84851; 9,12,15-Octadecatrienoic acid, ethyl ester, (9Z,12Z,15Z)-; T54Y8H042V; ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate; 9,12,15-Octadecatrienoic acid, ethyl ester; NSC607760; ethyl alpha-linolenate; Ethyl 9.alpha.-linolenate; Ethyl linolenate, >=98%; SCHEMBL122342; CHEMBL2005772; DTXSID6025307; JYYFMIOPGOFNPK-AGRJPVHOSA-N; Ethyl 9,12,15-octadecatrienoate; HMS3650O11; LS-90; ZINC12405247; AKOS016010181; 1-(3-Chloropiperazin-2-yl)methanamine; ACN-045519; NSC-607760; ethyl (9Z,12Z,15Z)-octadecatrienoate; AK115161; AS-70359; AX8136383; ST24034987; V0400; Ethyl cis,cis,cis-9,12,15-octadecatrienoate; SR-01000946818; (9Z,12Z,15Z)ethyl octadeca-9,12,15-trienoate; J-004074; J-803006; SR-01000946818-1; Q27158118; cis,cis,cis-octadeca-9,12,15-trienoic acid ethyl ester;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C20H34O2",
"molecular_weight": "306.5",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "5367460",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01928",
"RC02549",
"RC03170"
]
},
{
"compound_ID": "D0920",
"name": "etocarlide",
"synonyms": "Etocarlide; Ethoxyd; N,N'-Bis(4-ethoxyphenyl)thiourea; 1234-30-6; Aethoksid; Aethoxyd; Aethoxydum; Etoksid; 1,3-bis(4-ethoxyphenyl)thiourea; Etocarlide [INN]; 4,4'-Diethoxythiocarbanilide; Ethoxide (pharmaceutical); Etocarlidum [INN-Latin]; Etocarlida [INN-Spanish]; UNII-46V3V5EQAM; BRN 0686978; 46V3V5EQAM; CARBANILIDE, 4,4'-DIETHOXYTHIO-; NCGC00160510-01; Etocarlida; Etocarlidum; SMR000284778; bis[(4-ethoxyphenyl)amino]methane-1-thione; etoxyd; Etocarlid; Thiourea, N,N'-bis(4-ethoxyphenyl)-; SCHEMBL9263; DSSTox_CID_26197; DSSTox_RID_81428; DSSTox_GSID_46197; Oprea1_502217; CBDivE_013901; 2-13-00-00255 (Beilstein Handbook Reference); MLS000693149; MLS006011467; ARONIS23871; CHEMBL1354007; DTXSID0046197; CTK6G2120; HMS2594D06; HMS3379F20; Tox21_111862; SBB080564; STK519542; ZINC85205440; AKOS000567102; MCULE-5144059980; KS-000046I6; LS-51573; CAS-1234-30-6; ST45053243; Thiourea, N,N'-bis(4-ethoxyphenyl)- (9CI); SR-01000731596; SR-01000731596-3; Q27258961;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H20N2O2S",
"molecular_weight": "316.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "667483",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01930",
"RC02551",
"RC03172"
]
},
{
"compound_ID": "D0921",
"name": "everolimus",
"synonyms": "Everolimus; Afinitor; Certican; Zortress; RAD001; SDZ-RAD; 42-O-(2-Hydroxyethyl)rapamycin; Votubia; 159351-69-6; 40-O-(2-hydroxyethyl)-rapamycin; Afinitor Disperz; CHEBI:68478; RAD-001; Rapamycin, 42-O-(2-hydroxyethyl)-; UNII-9HW64Q8G6G; RAD 001; 9HW64Q8G6G; NCGC00167512-01; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; RAD; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.0(sup 4,9))hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.04,9)hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,35R)-1,18-dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; Everolimus (RAD001); everolimusum; NSC733504; Everolimus (INN); Everolimus [USAN]; SDZRAD; XIENCE V; Everolimus(RAD001); PubChem20048; Everolimus - RAD001; SCHEMBL4378; DSSTox_CID_20599; DSSTox_RID_79508; NVP-RAD001; DSSTox_GSID_40599; Everolimus [USAN:INN:BAN]; NVP-RAD-001; Everolimus, analytical standard; GTPL5889; RAD-001C; CHEMBL1908360; DTXSID0040599; HSDB 8255; RAD 666; RAD-666; Everolimus; RAD001; SDZ-RAD; HKVAMNSJSFKALM-GKUWKFKPSA-N; C53H83NO14; EX-A2057; Tox21_112510; BDBM50088378; AKOS015850977; ZINC169677008; CS-0064; DB01590; AS-16971; AT-22180; HY-10218; LS-143292; CAS-159351-69-6; V2036; Everolimus solution, 1.0 mg/ml in acetonitrile; 351E696; Q421052; Q-101413; BRD-K13514097-001-01-2; BRD-K13514097-001-05-3; dihydroxy-[(1R)-2-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxy-cyclohexyl]-1-methyl-ethyl]-dimethoxy-hexamethyl-[?]pentone; Everolimus solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material;",
"trade_name": "Afinitor, Zortress",
"abbrev_name": "",
"description": "immunosuppressant; mTOR inhibitor",
"molecular_formula": "C53H83NO14",
"molecular_weight": "958.2",
"state": "solid",
"clearance": "Following a 3 mg radiolabeled dose of everolimus, 80% of the radioactivity was recovered from the feces, while 5% was excreted in the urine.",
"volume_of_distribution": "The blood-to-plasma ratio of everolimus is 17% to 73%.",
"route_of_elimination": "After a single dose of radiolabeled everolimus was given to transplant patients receiving cyclosporine, the majority (80%) of radioactivity was recovered from the feces and only a minor amount (5%) was excreted in urine.",
"protein_binding": "~ 74% in both healthy patients and those with moderate hepatic impairment.",
"half_life": "~30 hours.",
"absorption": "In patients with advanced solid tumors, peak everolimus concentrations are reached 1 to 2 hours after administration of oral doses ranging from 5 mg to 70 mg. Following single doses, Cmax is dose-proportional between 5 mg and 10 mg. At doses of 20 mg and higher, the increase in Cmax is less than dose-proportional, however AUC shows dose-proportionality over the 5 mg to 70 mg dose range. Steady-state was achieved within 2 weeks following once-daily dosing.\nDose Proportionality in Patients with SEGA (subependymal giant-cell astrocytomas) and TSC (tuberous sclerosis complex): In patients with SEGA and TSC, everolimus Cmin was approximately dose-proportional within the dose range from 1.35 mg/m2 to 14.4 mg/m2.",
"cid": "6442177",
"classification": "L",
"indications": "",
"side_effects": "",
"atc_codes": "L01XE10; L04AA18",
"group": "Drug",
"drug_type": "",
"target": [
"T416"
],
"function": [
"F0108",
"F08"
],
"references": [
"RC01931",
"RC02552",
"RC03173",
"RC03755"
]
},
{
"compound_ID": "D0922",
"name": "exalamide",
"synonyms": "exalamide; 53370-90-4; 2-(Hexyloxy)benzamide; Hyperan; 2-n-Hexyloxybenzamide; Benzamide, 2-(hexyloxy)-; o-Hexyloxybenzamide; 2-Hexyloxybenzamide; Exalamida; Exalamidum; 2-hexoxybenzamide; o-(Hexyloxy)benzamide; Exalamide [INN:JAN]; Exalamidum [INN-Latin]; Exalamida [INN-Spanish]; UNII-7JEC65JCG2; H.P. 216; EINECS 258-504-3; BRN 2645003; 7JEC65JCG2; BENZAMIDE, o-HEXYLOXY-; CHEBI:31585; CKSJXOVLXUMMFF-UHFFFAOYSA-N; NCGC00095049-01; DSSTox_CID_25899; DSSTox_RID_81211; DSSTox_GSID_45899; CAS-53370-90-4; ortho-hexyloxybenzamide; Spectrum_001729; Exalamide (JAN/INN); Spectrum2_000869; Spectrum5_001095; KBioSS_002209; DivK1c_000140; SCHEMBL151112; SPECTRUM1503403; SPBio_000917; BEN685; CHEMBL1405973; DTXSID9045899; CTK8F9710; HMS500G22; KBio1_000140; KBio2_002209; KBio2_004777; KBio2_007345; NINDS_000140; HMS1922C12; Pharmakon1600-01503403; HY-B1224; ZINC1542919; Tox21 111403; Tox21_111403; CCG-39743; NSC758449; AKOS016014129; Tox21_111403_1; CS-4872; NSC-758449; VA10874; IDI1_000140; NCGC00095049-02; NCGC00095049-04; LS-26914; SBI-0051822.P002; DB-052320; FT-0630660; D01585; AB00052353_02; 370E904; A829549; SR-01000872750; SR-01000872750-1; BRD-K12609457-001-02-3; Q27114461;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C13H19NO2",
"molecular_weight": "221.29",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "3316",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01932",
"RC02553",
"RC03174"
]
},
{
"compound_ID": "D0923",
"name": "ezetimibe",
"synonyms": "Ezetimibe; 163222-33-1; Zetia; Ezetrol; Ezedoc; Sch 58235; SCH-58235; (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one; UNII-EOR26LQQ24; (-)-Sch 58235; Ezetimibe (Zetia); EOR26LQQ24; CHEBI:49040; 1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-4(S)-(4-hydroxyphenyl)-2-azetidinone; DSSTox_CID_24223; DSSTox_RID_80127; DSSTox_GSID_44223; (3R,4S)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one; (3R,4S)-1-(p-Fluorophenyl)-3-((3S)-3-(p-fluorophenyl)-3-hydroxypropyl)-4-(p-hydroxyphenyl)-2-azetidinone; Zient; Ezetimibe [USAN:INN]; SCH58235; 2-Azetidinone, 1-(4-fluorophenyl)-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-, (3R,4S)-; 2-Azetidinone, 1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-, (3R-(3alpha(S*),4beta))-; SMR000466334; CAS-163222-33-1; Zetia (TN); ezetimiba; ezetimibum; Ezetimibe (JAN/USAN/INN); Ezetimibe [USAN:INN:BAN]; Zetia ;Ezetrol; C24H21F2NO3; HSDB 7737; Ezetimibe(Zetia); ezetimibe anhydrate; NCGC00095134-01; 2-Azetidinone, 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3R,4S)-; MK-0653; SCHEMBL2871; CHEMBL1138; MLS000759443; MLS001424125; MLS006011921; GTPL6816; DTXSID1044223; Ezetimibe, >=98% (HPLC); EX-A795; OLNTVTPDXPETLC-XPWALMASSA-N; HMS2051K16; HMS2236A04; HMS3715D06; ACT03511; AMX10142; ZINC3810860; Tox21_111443; ABP001091; BDBM50371521; MK0653; s1655; STK640490; AKOS005572111; Tox21_111443_1; AC-1057; AM84560; CCG-100884; CS-1016; DB00973; KS-1170; MCULE-4417284526; NC00134; 1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-(4-hydroxyphenyl)-2-azetidione; NCGC00263575-01; NCGC00263575-07; (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxy-propyl]-4-(4-hydroxyphenyl)azetidin-2-one; CPD000466334; HY-17376; SAM001246623; SC-17354; AB0011316; AB2000199; LS-181801; FT-0601590; D01966; K-5098; 28055-EP2272841A1; 28055-EP2280001A1; 28055-EP2287165A2; 28055-EP2287166A2; 28055-EP2292620A2; 28055-EP2294052A1; 28055-EP2295422A2; 28055-EP2298742A1; 28055-EP2298769A1; 28055-EP2298776A1; 28055-EP2301923A1; 28055-EP2301936A1; 28055-EP2308878A2; 28055-EP2314588A1; AB00639916-06; AB00639916-08; AB00639916_09; 222E331; AR-270/43507897; Q417997; 3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one; BRD-K42260897-001-09-2; Z1550648770; (3R,4S)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-; Ezetimibe, United States Pharmacopeia (USP) Reference Standard; Ezetimibe, Pharmaceutical Secondary Standard; Certified Reference Material; (3R,4S)-1-(4-fluorophenyl)-3-[(3 S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one; (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)- 3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one; (3R,4S)-1-(4-Fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-azetidin-2-one; 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C24H21F2NO3",
"molecular_weight": "409.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "150311",
"classification": "C",
"indications": "",
"side_effects": "",
"atc_codes": "C10AX09",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01933",
"RC02554",
"RC03175"
]
},
{
"compound_ID": "D0924",
"name": "fenamidone",
"synonyms": "Fenamidone; 161326-34-7; Fenamidone [ISO]; Consento; UNII-DN24MG2Z5E; DN24MG2Z5E; (S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one; CHEBI:83258; (5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one; 1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one; (S)-4-Methyl-2-(methylthio)-4-phenyl-1-(phenylamino)-1H-imidazol-5(4H)-one; (5S)-3-anilino-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one; 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-; DSSTox_CID_14590; DSSTox_RID_79173; DSSTox_GSID_34590; SCHEMBL22306; (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenylimidazol-4-one; CHEMBL1232792; DTXSID2034590; LMVPQMGRYSRMIW-KRWDZBQOSA-N; Tox21_301093; ZINC13827994; Fenamidone 10 microg/mL in Acetonitrile; Fenamidone 100 microg/mL in Cyclohexane; NCGC00164263-01; NCGC00164263-02; NCGC00164263-03; NCGC00254993-01; LS-79967; CAS-161326-34-7; Fenamidone, PESTANAL(R), analytical standard; J-009814; Q5442966; (+)-(4S)-4-methyl-2-methylthio-4-phenyl-1-phenylamino-2-imidazolin-5-one; (+)-(4S)-4-methyl-2-methylthio-4-phenyl-1-phenylamino-2-imidazolin-5one; (5S)-3-anilino-5-methyl-2-(methylthio)-5-phenyl-2-imidazolin-4-one; (5S)-3-anilino-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro-4H-imidazol-4-one;",
"trade_name": "",
"abbrev_name": "",
"description": "foliar fungicide; Qₒ inhibitor",
"molecular_formula": "C17H17N3OS",
"molecular_weight": "311.4",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "10403199",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108",
"F020403"
],
"references": [
"RC01935",
"RC02556",
"RC03177",
"RC04929"
]
},
{
"compound_ID": "D0925",
"name": "fenarimol",
"synonyms": "FENARIMOL; 60168-88-9; Rimidin; Rubigan; BLOC; (2-Chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol; Compound 56722; Caswell No. 207AA; EL 222; Fenarimol [ANSI:BSI:ISO]; EINECS 262-095-7; EPA Pesticide Chemical Code 206600; BRN 5972869; CHEMBL28971; CHEBI:83686; NHOWDZOIZKMVAI-UHFFFAOYSA-N; alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol; 5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-; (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol; 2,4'-Dichloro-alpha(pyrimidin-5-yl)benzhydryl alcohol; (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol; (+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol; DSSTox_CID_12390; DSSTox_RID_78935; DSSTox_GSID_32390; W-111179; 5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-; alpha-(2-Chlorophenyl)-alpha-4-(chlorophenyl)-5-pyrimidinemethanol; .alpha.-(2-Chlorophenyl)-.alpha.-(4-chlorophenyl)-5-pyrimidinemethanol; CAS-60168-88-9; (+/-)-Fenarimol; PubChem16971; SCHEMBL42209; DTXSID2032390; DNDI1246778; Tox21_201631; Tox21_300650; BDBM50024511; 5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)- (9CI); AKOS015895790; Fenarimol 10 microg/mL in Cyclohexane; Fenarimol 100 microg/mL in Cyclohexane; Fenarimol 10 microg/mL in Ethyl acetate; NCGC00163917-01; NCGC00163917-02; NCGC00163917-03; NCGC00163917-04; NCGC00163917-05; NCGC00254558-01; NCGC00259180-01; CC-28369; SC-81548; AX8130183; DB-053545; LS-135442; FT-0630719; Fenarimol, PESTANAL(R), analytical standard; C11226; 168F889; 2,4'-Dichloro-(pyrimidin-5-yl)benzhydryl alcohol; C-20045; Q906987; 2,4'-dichloro-a(pyrimidin-5-yl)benzhydryl alcohol; (2-Chlorophenyl)(4-chlorophenyl)5-pyrimidinylmethanol #; (2-Chlorophenyl)-.alpha.-(4-chlorophenyl)-5-pyrimidinemethanol; (4-Chloro-phenyl)-(2-chloro-phenyl)-pyrimidin-5-yl-methanol; Pesticide6_Fenarimol_C17H12Cl2N2O_(2-Chlorophenyl)(4-chlorophenyl)5-pyrimidinylmethanol;",
"trade_name": "",
"abbrev_name": "",
"description": "",
"molecular_formula": "C17H12Cl2N2O",
"molecular_weight": "331.2",
"state": "",
"clearance": "",
"volume_of_distribution": "",
"route_of_elimination": "",
"protein_binding": "",
"half_life": "",
"absorption": "",
"cid": "43226",
"classification": "Others",
"indications": "",
"side_effects": "",
"atc_codes": "",
"group": "Compound",
"drug_type": "",
"target": [],
"function": [
"F0108"
],
"references": [
"RC01936",
"RC02557",
"RC03178"
]
}
]
}
