[(16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decah ydrocyclopenta[a]phenanthren-3-yl] benzoate

Modify Date: 2023-01-18 23:02:38

[(16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decah ydrocyclopenta[a]phenanthren-3-yl] benzoate Structure
[(16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decah ydrocyclopenta[a]phenanthren-3-yl] benzoate structure
Common Name [(16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decah ydrocyclopenta[a]phenanthren-3-yl] benzoate
CAS Number 2508-47-6 Molecular Weight 476.56100
Density 1.24g/cm3 Boiling Point 578.9ºC at 760mmHg
Molecular Formula C29H32O6 Melting Point N/A
MSDS N/A Flash Point 245.7ºC

 Names

Name [(16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decah ydrocyclopenta[a]phenanthren-3-yl] benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 578.9ºC at 760mmHg
Molecular Formula C29H32O6
Molecular Weight 476.56100
Flash Point 245.7ºC
Exact Mass 476.22000
PSA 78.90000
LogP 5.23520
Vapour Pressure 2.14E-13mmHg at 25°C
Index of Refraction 1.594

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG7730200
CHEMICAL NAME :
Estra-1,3,5(10)-triene-3,16-alpha,17-beta-triol, 3-benzoate, 16,17-diacetate
CAS REGISTRY NUMBER :
2508-47-6
LAST UPDATED :
199512
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C29-H32-O6
MOLECULAR WEIGHT :
476.61

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 7,748,1973 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1080 mg/kg/90D-I
TOXIC EFFECTS :
Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in ovarian weight
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 7,3355,1979 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
2500 ug/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 61,89s,1965
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
4500 ug/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 61,89s,1965

 Synonyms

estriol benzoate diacetate
Estriol 3-benzoate 16,17-diacetate
Estriol acetate benzoate
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