品牌现货直购
供应商:我要出现这里

查看所有供应商和价格请点击:

80471-63-2生产厂家

80471-63-2价格

80471-63-2

80471-63-2结构式
80471-63-2结构式
  • 常用中文名:环氧司坦
  • 常用英文名:Epostane
  • CAS号:80471-63-2
  • 分子式:C22H31NO3
  • 分子量:357.48600
  • 相关类别: 原料药 激素及调节内分泌功能类药 垂体激素类药
  • 发布时间:2018-03-15 08:00:00
  • 更新时间:2024-01-27 11:27:56
  • 3β-羟类固醇脱氢酶竞争抑制剂,为抗早孕药,能抑制卵巢和胎盘孕酮的合成而导致流产。用于抗早孕。


化源商城直购

中文名 环氧司坦
英文名 4α,5α-epoxy-3,17β-dihydroxy-4β,17α-dimethyl-5α-androst-2-ene-2-carbonitrile
中文别名 (4Α,5Α,17Β)-4,5-环氧-3,17-二羟基-4,17-二甲基雄甾-2-烯-2-氰
腈波斯坦
英文别名 (4|A,5|A,17|A)-4,5-Epoxy-3,17-dihydroxy-4,17-dimethylandrost-2-ene-2-carbonitrile
密度 1.24g/cm3
沸点 495ºC at 760 mmHg
熔点 191-194°
分子式 C22H31NO3
分子量 357.48600
闪点 253.2ºC
精确质量 357.23000
PSA 76.78000
LogP 4.24708
折射率 1.596
分子结构

1、 摩尔折射率:97.88

2、 摩尔体积(cm3/mol):287.3

3、 等张比容(90.2K):783.0

4、 表面张力(dyne/cm):55.1

5、 极化率(10-24cm3):38.80

计算化学

1.疏水参数计算参考值(XlogP):2.7

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积57.4

7.重原子数量:26

8.表面电荷:0

9.复杂度:782

10.同位素原子数量:0

11.确定原子立构中心数量:8

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1.性状:从二甲基甲酰胺-水中结晶。

2.熔点(℃):191~194。

3.折射率(℃,C=1,吡啶)):67.4。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BV8087520
CHEMICAL NAME :
Androst-2-ene-2-carbonitrile, 3,17-dihydroxy-4,17-dimethyl-4,5-epoxy-, (4-alpha,5-alpha, 17-beta)-
CAS REGISTRY NUMBER :
80471-63-2
LAST UPDATED :
199503
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C22-H31-N-O3
MOLECULAR WEIGHT :
357.54

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
96 mg/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 35,111,1987 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
96 mg/kg
SEX/DURATION :
female 7-8 week(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 35,111,1987
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
84 mg/kg
SEX/DURATION :
female 34-41 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
REFERENCE :
BJOGAS British Journal of Obstetrics and Gynaecology. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.82- 1975- Volume(issue)/page/year: 96,340,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
50 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
REFERENCE :
BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 40,549,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
48 mg/kg
SEX/DURATION :
female 10 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 :
CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 14,437,1993
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
15 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
SCYYDZ Shengzhi Yu Biyun. Reproduction and Contraception. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) 1980- Volume(issue)/page/year: 11(2),59,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
10 mg/kg
SEX/DURATION :
female 1 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 :
THGNBO Theriogenology. (Geron-X, Inc., P.O. Box 1108, Los Altos, CA 94022) V.1- 1974- Volume(issue)/page/year: 30,497,1988
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2500 ug/kg
SEX/DURATION :
female 1 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Endocrine - estrogenic
REFERENCE :
THGNBO Theriogenology. (Geron-X, Inc., P.O. Box 1108, Los Altos, CA 94022) V.1- 1974- Volume(issue)/page/year: 30,497,1988
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
25 mg/kg
SEX/DURATION :
female 5 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 31,479,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 mg/kg
SEX/DURATION :
female 5 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 31,479,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
175 mg/kg
SEX/DURATION :
female 50-54 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
REFERENCE :
CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 11,62,1990

化合物(Ⅰ)和甲醛及苯硫酚进行硫甲基化反应,再氢化还原,在4位引入甲基,得到化合物(Ⅲ)。然后和甲酸乙酯在甲醇钠作用下缩合,在2位引入醛基,而得化合物(Ⅳ)。和羟胺成肟后,再和3位羰基环合成化合物(V)。接着用过苯甲酸过氧化在4,5-位形成环氧物(Ⅵ),最后碱化使化合物(V)开环,得到环氧司坦。80471-63-2 preparation