quinestradol
- 中文别名:奎雌醇
- 中文释义:奎雌醇;奎雌醇 17α-乙炔-1,3,5(10)-雌三醇-3,17β-二醇
- 英文别名:(16α,17β)-3-(Cyclopentyloxy)estra-1,3,5(10)-triene-16,17-diol;
4-Quinazolone-2-carboxylic Acid;
Quinestradiol;
4-oxo-3,4-dihydroquinazoline-2-carboxylic acid;
Oestriol-3-cyclopentylaether;
3,4-dihydro-4-oxoquinazoline-2-carboxylic acid;
4-Oxo-3,4-dihydro-chinazolin-2-carbonsaeure;
Chinazol-4-on-2-carbonsaeure;
3-cyclopentyl ether of estriol;
4-Chinazolon-2-carbonsaeure;
quinazolone-2-carboxylic acid
- CAS No.:1169-79-5
- 分子式:
C23H32O3
- 分子量:356.49
- 精确分子量:356.23500
- PSA:49.69000
- InChI:The Key: ODYKCPYPRCJXLY-PZORDLPLSA-N
- 分子结构式:
物化性质
- 密度:
- 1.188 g/cm3
- 熔点:
- 98-100ºC
- 沸点:
- 510.2ºC at 760 mmHg
- 闪点:
- 262.3ºC
- 折射率:
- 1.597
- 蒸汽压:
- 3.12E-11mmHg at 25°C
安全信息
- 密度:
- 1.188 g/cm3
- 熔点:
- 98-100ºC
- 沸点:
- 510.2ºC at 760 mmHg
- 闪点:
- 262.3ºC
- 折射率:
- 1.597
- 蒸汽压:
- 3.12E-11mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- KG7395000
- CHEMICAL NAME :
- Estra-1,3,5(10)-triene-16-alpha,17-beta-diol, 3-(cyclopentyloxy)-
- CAS REGISTRY NUMBER :
- 1169-79-5
- LAST UPDATED :
- 198910
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C23-H32-O3
- MOLECULAR WEIGHT :
- 356.55
- WISWESSER LINE NOTATION :
- L E5 B666TTT&J E1 FQ GQ OO- AL5TJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 713 ug/kg
- SEX/DURATION :
- female 16-19 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
- REFERENCE :
- AOGMAU Annali di Ostetricia, Ginecologia, Medicina Perinatale. (Istiuti Clinica di Perfezionamento di Milano, Via Daverio, 6, 20122 Milan, Italy) V.93- 1972- Volume(issue)/page/year: 96,83,1975
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 500 ug/kg
- SEX/DURATION :
- female 1 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 :
- STEDAM Steroids. (Holden-Day Inc., 4432 Telegraph Ave., Oakland, CA 94609) V.1- 1963- Volume(issue)/page/year: 20,223,1972
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:102.31
2、 摩尔体积(cm3/mol):299.9
3、 等张比容(90.2K):791.2
4、 表面张力(dyne/cm):48.4
5、 极化率(10-24cm3):40.56
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