53866-33-4

53866-33-4 structure
53866-33-4 structure
  • Name: (17β)-(2,4-2H2)Estra-1,3,5(10)-triene-3,17-diol
  • Chemical 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
  • CAS Number: 53866-33-4
  • Molecular Formula: C18H22D2O2
  • Molecular Weight: 274.394
  • Create Date: 2018-12-24 12:12:17
  • Modify Date: 2024-01-14 11:04:30
  • 17β-Estradiol is the major estrogen secreted by the premenopausal ovary.

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
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
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

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
Hazard Codes T: Toxic;
Risk Phrases R45