Compound

D0831 | calcipotriene

Molecular Formula C27H40O3
Molecular Weight 412.6
Structure

Toxicity Dose Time Species Model Method Action Positive criterion Reference
MEMBRANE POTENTIAL 25.98±3.89 human qHTS-HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL 21.82 human HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL 17.34±0.00 rat hepatocytes MMP assay decrease IC50 163

Pictogram Signal Statements Precautionary Statement Codes
Danger

Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.


H300 (75%): Fatal if swallowed [Danger Acute toxicity, oral]


H310 (50%): Fatal in contact with skin [Danger Acute toxicity, dermal]


H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]


H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]


H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]


H330 (50%): Fatal if inhaled [Danger Acute toxicity, inhalation]


H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure


Respiratory tract irritation]


H362 (25%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]


H372 (50%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]


Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.


P201, P260, P261, P262, P263, P264, P270, P271, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P312, P314, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)
Danger

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.


H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]


H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]


H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]


P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)

Organism Test type Route Dose (normalized dose) Effect Source
rat LD50 skin > 15mg/kg (15mg/kg) Journal of Toxicological Sciences. Vol. 21(Suppl,
women TDLo skin 10gm/kg/6W-I (10000mg/kg) British Medical Journal. Vol. 306, Pg. 896, 1993.
dog LD50 skin > 1500ug/kg (1.5mg/kg) Journal of Toxicological Sciences. Vol. 21(Suppl,
man TDLo skin 11gm/kg/11W-I (11000mg/kg) British Medical Journal. Vol. 306, Pg. 896, 1993.
rat LD50 subcutaneous 2190ug/kg (2.19mg/kg) Journal of Toxicological Sciences. Vol. 21(Suppl,


  • (1?,3?,5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol (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 (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 (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
    (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol (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;
    1-ALPHA,24S-(OH)2-22-ENE-26,27-DEHYDROVITAMIN D3 112828-00-9 112965-21-6
    143NQ3779B 1s19 24207-EP2275420A1
    24207-EP2295055A2 24207-EP2295416A2 24207-EP2298748A2
    24207-EP2298764A1 24207-EP2298765A1 24207-EP2305640A2
    24207-EP2305642A2 24207-EP2308861A1 24207-EP2311453A1
    24207-EP2314590A1 828C009 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E,24S)-
    AB00698343-05 AKOS015855239 AS-56390
    BDBM50369964 BMS-181161 CAS-112965-21-6
    CCG-100949 CCRIS 7700 CHEBI:50749
    CHEMBL1200666 CPD000466353 CS-0387
    Calcipotriene (USAN) Calcipotriene [USAN] Calcipotriol
    Calcipotriol (JAN) Calcipotriol [INN] Calcipotriol hydrate
    Calciptriol Calcitrene D01125
    DB02300 DSSTox_CID_26648 DSSTox_GSID_46648
    DSSTox_RID_81793 DTXSID0046648 Daivonex
    Divonex Dovonex Dovonex (TN)
    Epitope ID:114242 GTPL2778 HMS2051N11
    HMS2089J08 HMS3269P03 HMS3413D04
    HMS3677D04 HMS3713K08 HY-10001
    LMST03020106 LWQQLNNNIPYSNX-UROSTWAQSA-N MC 903
    MC-903 MC903 MFCD10567086
    MLS000759467 MLS001424130 NC00199
    NCGC00167465-01 NCGC00167465-02 O763
    PRI 2201 PRI-2201 Psorcutan
    PubChem18810 PubChem19334 Q155683
    SCHEMBL2853 SMR000466353 SR-01000762910
    SR-01000762910-3 SR-01000762910-4 STF-115469
    Sorilux Tox21_112469 Tox21_112469_1
    U-0267 UNII-143NQ3779B W-5148
    ZINC3921872 calcipotriene s3739

    CAS Number 112828-00-9, 112965-21-6, 147657-22-5
    PubChem Compound 5288783
    KEGG Drug D01125
    ChEBI 50749