(17β)-(2,4-2H2)Estra-1,3,5(10)-triene-3,17-diol

Modify Date: 2024-01-14 11:04:30

(17β)-(2,4-2H2)Estra-1,3,5(10)-triene-3,17-diol Structure
(17β)-(2,4-2H2)Estra-1,3,5(10)-triene-3,17-diol structure
Common Name (17β)-(2,4-2H2)Estra-1,3,5(10)-triene-3,17-diol
CAS Number 53866-33-4 Molecular Weight 274.394
Density 1.2±0.1 g/cm3 Boiling Point 445.9±45.0 °C at 760 mmHg
Molecular Formula C18H22D2O2 Melting Point N/A
MSDS N/A Flash Point 209.6±23.3 °C

 Use of (17β)-(2,4-2H2)Estra-1,3,5(10)-triene-3,17-diol


17β-Estradiol is the major estrogen secreted by the premenopausal ovary.

 Names

Name (8R,9S,13S,14S,17S)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 445.9±45.0 °C at 760 mmHg
Molecular Formula C18H22D2O2
Molecular Weight 274.394
Flash Point 209.6±23.3 °C
Exact Mass 274.190186
PSA 40.46000
LogP 4.13
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.599

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG6814500
CHEMICAL NAME :
Estra-1,3,5(10)-triene-2,4-D2-3,17-diol, (17-beta)-
CAS REGISTRY NUMBER :
53866-33-4
LAST UPDATED :
198910
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H22-D2-O2
MOLECULAR WEIGHT :
274.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
360 mg/kg/15W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
MOPMA3 Molecular Pharmacology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1965- Volume(issue)/page/year: 23,278,1983

 Safety Information

Hazard Codes T: Toxic;
Risk Phrases R45

 Synonyms

A-Estradiol-d2
Estra-1,3,5(10)-triene-2,4-d-3,17-diol, (17β)-
(17β)-(2,4-H)Estra-1,3,5(10)-triene-3,17-diol