Drug

D0172 | Diethylstilbestrol

Molecular Formula C18H20O2
Molecular Weight 268.3
Structure
State solid
Description nonsteroidal estrogen medication

G

L

L02AA04 Fosfestrol


[L02AA] Estrogens


[L02A] HORMONES AND RELATED AGENTS


[L02] ENDOCRINE THERAPY


[L] Antineoplastic and immunomodulating agents


L02AA01 Diethylstilbestrol


[L02AA] Estrogens


[L02A] HORMONES AND RELATED AGENTS


[L02] ENDOCRINE THERAPY


[L] Antineoplastic and immunomodulating agents


G03CC05 Diethylstilbestrol


[G03CC] Estrogens, combinations with other drugs


[G03C] ESTROGENS


[G03] SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM


[G] Genitourinary system and reproductive hormones


G03CB02 Diethylstilbestrol


[G03CB] Synthetic estrogens, plain


[G03C] ESTROGENS


[G03] SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM


[G] Genitourinary system and reproductive hormones


Toxicity Dose Time Species Model Method Action Positive criterion Reference
MEMBRANE POTENTIAL 9.76±6.25 human qHTS-HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL 5.62 human HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL 6.31 human HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL 42.80±10.35 rat hepatocytes MMP assay decrease IC50 163
MEMBRANE POTENTIAL 25.19±21.68 rat hepatocytes MMP assay decrease IC50 163
ELECTRON TRANSPORT CHAIN 10 μM rat liver MF0F1-ATPase decrease 143
ELECTRON TRANSPORT CHAIN 10-25 μM rat brain MF0F1-ATPase decrease 141
GLUCOSE GALACTOSE IC50 RATIO 1 LUHMES (Lund human mesencephalic) cells Glc–Gal–NeuriTox assay Negative EC25(NA) [Glc/Gal] 326

Target Dose Time Species Model Method Action Positive criterion Reference
ATP synthase 10 μM rat liver MF0F1-ATPase inhibitor 143
ATP synthase 10-25 μM rat brain MF0F1-ATPase inhibitor 141

Pictogram Signal Statements Precautionary Statement Codes
Danger

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


H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]


H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]


H350 (100%): May cause cancer [Danger Carcinogenicity]


H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]


P201, P202, P264, P273, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P391, 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
mouse LD50 intravenous 300mg/kg (300mg/kg) Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 666, 1968.
mouse LD50 oral > 3gm/kg (3000mg/kg) Drugs of the Future. Vol. 8, Pg. 413, 1983.
mouse LDLo subcutaneous 500mg/kg (500mg/kg) Klinische Wochenscrift. Vol. 18, Pg. 156, 1939.
mouse LD50 intraperitoneal 538mg/kg (538mg/kg) Drugs of the Future. Vol. 8, Pg. 413, 1983.
human TDLo skin 60ug/kg/14D (0.06mg/kg) skin and appendages (skin): breast: other American Industrial Hygiene Association Journal. Vol. 20, Pg. 469, 1959.
women TDLo oral 375ug/kg/30D- (0.375mg/kg) American Journal of Psychiatry. Vol. 151, Pg. 1246, 1994.
rat LD50 oral > 3gm/kg (3000mg/kg) Drugs of the Future. Vol. 8, Pg. 413, 1983.
rat LD50 intraperitoneal 34mg/kg (34mg/kg) Toxicology and Applied Pharmacology. Vol. 24, Pg. 142, 1973.


  • (Z)-4,4'-(hex-3-ene-3,4-diyl)diphenol (Z,E)-Diethylstilbestrol 22610-99-7
    4,4'-(3-HEXENE-3,4-DIYL)DIPHENOL 4,4'-(Hex-3-ene-3,4-diyl)diphenol 4,4'-hex-3-ene-3,4-diyldiphenol
    4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol 6898-97-1 A23912
    AC-12170 ACMC-209o5h AI3-17297
    AK113608 AKOS025401352 ANW-35571
    C18H20O2 CAS-6898-97-1 CCRIS 9140
    CHEMBL2135534 CTK3J1177 CTK6C6263
    CTK8F8699 DB-052931 DB00255
    DSSTox_CID_20770 DSSTox_GSID_40770 DSSTox_RID_79594
    DTXSID3040770 Diethylstilbestrol BP Diethylstilbestrol,(S)
    Diethylstilbestrol,mixture of cis and trans DivK1c_000519 FT-0603236
    FT-0624909 FT-0666798 HMS3655E18
    HMS3746G09 KBio1_000519 KBio2_001420
    KBio2_003988 KBio2_006556 KBio3_001421
    KBioGR_001083 KBioSS_001420 KS-00000G1O
    KS-0000113R KS-000046H0 KSC491C7P
    LS-176713 MCULE-1184803692 NCGC00090749-04
    NCGC00090749-11 NCGC00090749-12 NCGC00188969-02
    NINDS_000519 Oprea1_042748 Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-
    Prestwick0_000756 Prestwick1_000756 Q27164556
    SPBio_000256 SPBio_002711 Spectrum2_000148
    Spectrum3_000391 Spectrum4_000512 Spectrum_000940
    Tox21_111005 Tox21_111005_1 Z2197067559
    cis-Diethyl Stilbestrol cis-Diethylstilbestrol cpd w/o stereochem designation

    DrugBank Name Diethylstilbestrol
    DrugBank DB00255
    CAS Number 22610-99-7, 56-53-1, 6898-97-1
    PubChem Compound 3054
    KEGG Compound ID C07620
    KEGG Drug D00577
    PubChem.Substance 46507453
    ChEBI 41922
    PharmGKB PA449307
    ChemSpider 395306
    BindingDB 20625.0
    TTD DAP001011
    Wikipedia Diethylstilbestrol
    HET DES
    DPD 7384|7380

    1. Thomas and Roy, 2001