152-62-5

• 常用中文名：地屈孕酮
• 常用英文名：Dydrogesterone
• CAS号：152-62-5
• 分子式：C₂₁H₂₈O₂
• 分子量：312.446
• 相关类别： 生物化工 抑制剂 内分泌及激素(Endocrinology & Hormones) Estrogen/progestogen Receptor 激动剂
• 发布时间：2018-09-30 20:52:23
• 更新时间：2024-01-02 18:17:33
• Dydrogesterone(Duphaston)是口服活性的孕激素,可作用于孕酮缺乏相关疾病。

名称

• 中文名: 去氢孕酮
• 英文名: dydrogesterone
• 中文别名: 6-去氢逆孕酮; 盐酸丙环定.盐酸吡哌立登; 地屈孕酮
• 英文别名: Dydrogesterone; D6-Retroprogesterone; δ6-Retroprogesterone; 9β,10α-Pregna-4,6-diene-3,20-dione (8CI); 9b,10a-Pregna-4,6-diene-3,20-dione; (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; (9β,10α)-Pregna-4,6-diene-3,20-dione; EINECS 205-806-8; 6-Dehydro-9b,10a-progesterone; MFCD00867864; 10a-Isopregnenone; 6-Dehydroretroprogesterone; 6-Dehydro-9β,10α-progesterone; (9b,10a)-Pregna-4,6-diene-3,20-dione; Pregna-4,6-diene-3,20-dione, (9β,10α)-

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 462.8±45.0 °C at 760 mmHg
• 熔点: 168-173°C
• 分子式: C₂₁H₂₈O₂
• 分子量: 312.446
• 闪点: 172.2±25.7 °C
• 精确质量: 312.208923
• PSA: 34.14000
• LogP: 3.58
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.557
• 储存条件: Refrigerator
• 分子结构:

  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:

  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

• 更多:

  1.熔点（℃）：168-173。

生物活性

• 描述: Dydrogesterone(Duphaston)是口服活性的孕激素,可作用于孕酮缺乏相关疾病。
• 相关类别:
  信号通路 >> 其他 >> 孕激素受体
  研究领域 >> 内分泌
• 参考文献:

  [1]. Dydrogesterone, From Wikipedia, the free encyclopedia

毒性和生态

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)

安全

• 安全声明 (欧洲): S26-S37/39
• 危险品运输编码: 3276
• WGK德国: 3
• 包装等级: III
• 危险类别: 6.1

合成路线

16484-70-1 ~% 152-62-5

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 80, p. 43 - 46

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