去氢孕酮

去氢孕酮 基本信息
CAS号 152-62-5 分子式 C21H28O2
分子量 312.44600 精确质量 　312.20900
PSA 　34.14000 LogP 　4.49950
我要卖该产品 我要采购该产品

等价的CAS号：

152-62-5,601-33-2,1162-56-7,2640-38-2,3795-24-2,25093-47-4
充值推广 查看更多供应商
目录
基本信息 物化性质 安全信息 合成路线 毒性 结构与计算数据 上下游

基本信息 展开↓

CAS号：
152-62-5
3D弹球模型：
立即前往扯扯看
分子式：
C21H28O2
分子量：
312.44600
中文名称：
去氢孕酮
英文名称：
dydrogesterone
中文别名：
去氢孕酮;
盐酸丙环定.盐酸吡哌立登;
9β,10α-Pregna-4,6-diene-3,20-dione;
6-去氢逆孕酮;
地屈孕酮
英文别名：
dydrogesterone;
(8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;
Dydrogesterone
精确分子量/精确质量：
312.20900
极性分子表面积/PSA：
34.14000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
205-806-8
InChI：
InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20?,21+/m0/s1

物化性质展开↓

密度：
1.1g/cm3
熔点：
168-173°C
沸点：
462.8ºC at 760mmHg
闪点：
172.2ºC
折射率：
1.556
蒸汽压：
9.55E-09mmHg at 25°C
其它信息：

1.熔点（℃）：168-173。

安全信息展开↓

包装等级：
III
风险类别：
6.1
WGK_Germany：
3
德国有关水污染物质的分类清单
安全说明：
S26-S37/39

合成路线查看所有的合成路线

  • 16484-70-1

    16484-70-1

  • →

  • 152-62-5

    去氢孕酮

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU3671000
CHEMICAL NAME :
9-beta,10-alpha-Pregna-4,6-diene-3,20-dione
CAS REGISTRY NUMBER :
152-62-5
LAST UPDATED :
199504
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C21-H28-O2
MOLECULAR WEIGHT :
312.49
WISWESSER LINE NOTATION :
L E5 B666 OV KU MUTJ A1 E1 FV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>4600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,324,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>7200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,324,1982 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
70 mg/kg
SEX/DURATION :
female 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Fertility - other measures of fertility
REFERENCE :
CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 5,57,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1600 mg/kg
SEX/DURATION :
female 13-28 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 43,539,1963
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
40 mg/kg
SEX/DURATION :
female 13-28 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 43,539,1963
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1500 ug/kg
SEX/DURATION :
female 2 day(s) pre-mating 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 :
AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 117,167,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
40 mg/kg
SEX/DURATION :
female 10 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 :
FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 23,196,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
DOSE :
2400 ug/kg
SEX/DURATION :
female 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
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: 37,269,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9388 No. of Facilities: 27 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 191 (estimated) No. of Female Employees: 82 (estimated)

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：66.79

2、  摩尔体积（cm3/mol）：179.4

3、  等张比容（90.2K）：486.1

4、  表面张力（dyne/cm）：53.8

5、  极化率（10-24cm3）：26.48

计算化学数据

1.疏水参数计算参考值（XlogP）:3.8

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:21

6.拓扑分子极性表面积34.1

7.重原子数量:23

8.表面电荷:0

9.复杂度:628

10.同位素原子数量:0

11.确定原子立构中心数量:6

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

上下游相关产品

上游产品

更多

  • 16484-70-1

    3.20-Dioxo-pregnadien-(4.7)

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP