环氧司坦,80471-63-2，生产厂家，价格-洛克化工网移动版

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基本信息

制备方法及用途

物化性质

毒理性

结构与计算化学

环氧司坦

中文名称：: 环氧司坦

中文别名：: 环氧司坦;
(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

英文名称：: Androst-2-ene-2-carbonitrile,4,5-epoxy-3,17-dihydroxy-4,17-dimethyl-, (4a,5a,17b)-

英文别名：: 4α,5α-epoxy-3,17β-dihydroxy-4β,17α-dimethyl-5α-androst-2-ene-2-carbonitrile;
(4|A,5|A,17|A)-4,5-Epoxy-3,17-dihydroxy-4,17-dimethylandrost-2-ene-2-carbonitrile

CAS No.：: 80471-63-2

分子式：: C₂₂H₃₁NO₃

分子量：: 357.49

精确分子量：: 357.23000

PSA：: 76.78000

InChI：: The Key: CETKWEWBSMKADK-GSXVSZIWSA-N3

危险品标志：

风险术语：

安全术语：

分子结构式：

SDS：: 查看

环氧司坦物化性质

密度：
1.24g/cm3

沸点：
495ºC at 760 mmHg

闪点：
253.2ºC

折射率：
1.596

其它信息：

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。

环氧司坦毒理性

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

环氧司坦分子结构与计算化学数据

分子结构数据

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

计算化学数据

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

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环氧司坦
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Cas号：80471-63-2
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环氧司坦

环氧司坦制备方法及用途

制备方法

合成制备方法

用途简介

用途

环氧司坦物化性质

环氧司坦毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

环氧司坦分子结构与计算化学数据

分子结构数据

计算化学数据

推荐供应商

湖北恩星生物科技有限公司

环氧司坦

环氧司坦

环氧司坦 制备方法及用途

制备方法

合成制备方法

用途简介

用途

环氧司坦 物化性质

环氧司坦 毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

环氧司坦 分子结构与计算化学数据

分子结构数据

计算化学数据

推荐供应商

湖北恩星生物科技有限公司

环氧司坦

环氧司坦制备方法及用途

环氧司坦物化性质

环氧司坦毒理性

环氧司坦分子结构与计算化学数据