565-99-1

• 常用中文名：雷那诺龙
• 常用英文名：Pregnane-11,20-dione,3-hydroxy-, (3a,5b)-
• CAS号：565-99-1
• 分子式：C₂₁H₃₂O₃
• 分子量：332.47700
• 发布时间：2018-06-17 11:26:42
• 更新时间：2024-01-11 18:37:59

名称

• 中文名: 雷那诺龙
• 英文名: (3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
• 英文别名: 11-Oxopregnanolone; 3alpha-Hydroxy-11,20-pregnadien; 3alpha-Hydroxy-5beta-pregnane-11,20-dione; Renanolone; 11-Ketopregnanolone

物化性质

• 密度: 1.212g/cm3
• 沸点: 504ºC at 760mmHg
• 分子式: C₂₁H₃₂O₃
• 分子量: 332.47700
• 闪点: 272.7ºC
• 精确质量: 332.23500
• PSA: 54.37000
• LogP: 3.77420
• 折射率: 1.562
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.2

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:9

  6.拓扑分子极性表面积:54.4

  7.重原子数量:24

  8.表面电荷:0

  9.复杂度:569

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TU4157900 CHEMICAL NAME : 5-beta-Pregnane-11,20-dione, 3-alpha-hydroxy- CAS REGISTRY NUMBER : 565-99-1 LAST UPDATED : 199709 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C21-H32-O3 MOLECULAR WEIGHT : 332.53 WISWESSER LINE NOTATION : L E5 B666 CVTJ A1 E1 FV1 OQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 68 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 160 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968

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