Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-16-methyl-, (16b,17b)-

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Names

[ CAS No. ]:
5108-94-1

[ Name ]:
Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-16-methyl-, (16b,17b)-

[Synonym ]:
Manvene
Mytatrienediol
17.β.-Estradiol, 16.β.-hydroxy-16-methyl-, 3-methyl ether
16b-Hydroxy-16-methyl-3-methyl ether 17b-estradiol

Chemical & Physical Properties

[ Density]:
1.156g/cm3

[ Boiling Point ]:
451.3ºC at 760mmHg

[ Molecular Formula ]:
C20H28O3

[ Molecular Weight ]:
316.43500

[ Flash Point ]:
226.8ºC

[ Exact Mass ]:
316.20400

[ PSA ]:
49.69000

[ LogP ]:
3.27310

[ Index of Refraction ]:
1.575

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG7550000
CHEMICAL NAME :
Estra-1,3,5(10)-triene-16-beta,17-beta-diol, 3-methoxy-16-methyl-
CAS REGISTRY NUMBER :
5108-94-1
LAST UPDATED :
198910
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C20-H28-O3
MOLECULAR WEIGHT :
316.48
WISWESSER LINE NOTATION :
L E5 B666TTT&J E1 FQ GQ G1 OO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
35 mg/kg
SEX/DURATION :
female 35 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
ENDOAO Endocrinology (Baltimore). (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21203) V.1- 1917- Volume(issue)/page/year: 63,561,1958
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
30 mg/kg
SEX/DURATION :
female 30 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
RPHRA6 Recent Progress In Hormone Research. Proceedings of the Laurentian Hormone Conference. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1947- Volume(issue)/page/year: 20,395,1964
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
12 mg/kg
SEX/DURATION :
female 4-6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 9,277,1965