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羟孕酮 | 68-96-2

羟孕酮
Hydroxyprogesterone
68-96-2
C21H30O3
330.4611
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:羟孕酮结构式
87560353
简介
羟孕酮又称17α-羟基孕甾-4-烯-3,20-二酮,分子式:C21H30O3 ,密度:1.15 g/cm3,沸点:482.9ºC at 760 mmHg ,为白色菱形或六方形小叶状结晶,是一种内源性孕激素,人体本身会自我生成,也有化学品制剂。为长效孕激素,其孕激素活性为黄体酮的7倍,并无雌激素活性。
名称和标识符
MDL MFCD00003659
InChIKey DBPWSSGDRRHUNT-CEGNMAFCSA-N
Inchi 1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILES O([H])[C@]1(C(C([H])([H])[H])=O)C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H])=O
别名信息
- 中文别名 -
  • 17α-羟基黄体酮
  • 羟孕酮
  • 17a-羟基孕酮
  • 17α-羟孕酮
  • 17alpha-Hydroxyprogesterone 17α-羟孕酮
  • 17Alpha-羟基黄体酮
  • 17a-羟基黄体酮
  • 17a-羟孕酮
  • 17α羟基黄体酮
  • 17-α-羟基黄体酮
  • 17α-羟基黄体酮 (羟孕酮)
  • 17α-羟基孕酮 标准品
  • 灯盏花素
  • 羟基孕酮
  • 羟基孕酮(17a羟基黄体酮)(17a-羟基孕甾-4-烯-3.20-二酮)
  • 羟基孕酮(17α羟基黄体酮)(17α-羟基孕甾-4-烯-3.20-二酮)
  • 17-alpah-羟基黄体酮
  • 17Alpha-羟基孕酮
  • 17-ALPHA-羟基孕酮
  • 17Alpha-羟孕酮
  • 17a-羟基-黄体酮
  • 17α-羟基孕酮
  • 17α-羟基孕甾-4-烯-3,20-二酮
  • 17Α-羟基孕甾酮
  • 羟黄酮
  • 羟孕酮,17α-羟基黄体酮
- 英文别名 -
  • 17A-hydroxyprogesterone
  • 17-Alpha-Hydroxy-Progesterone
  • 17-alpha-hydroxypregn-4-ene-3,20-dione
  • 2-Chloro-5-Fluorobenzoic Acid
  • 17alpha-Hydroxyprogesterone
  • 17-Hydroxyprogesterone
  • 17α-Hydroxy Progesterone
  • 17α-Hydroxyprogesterone solution
  • Hydroxyprogesterone
  • HYDROXYPROGESTERONE, 17a-(RG)
  • 17-OHP
  • 17α-Hydroxy-4-pregnene-3,20-dione
  • 4-Pregnen-17a-ol-3,20-dione
  • 17a-Hydroxypregn-4-ene-3,20-dione
  • Prodix
  • Prodox
  • Gestageno gador
  • Setaderm
  • Oxiprogesteronum
  • 17-alpha-Hydroxyprogesterone
  • Hidroxiprogesterona
  • Hydroxyprogesteronum
  • Gestageno
  • Idrossiprogesterone [DCIT]
  • 17alpha-Hydroxy-progesterone
  • Hydroxyprogesteronum [INN-Latin]
  • Hidroxiprogesterona [INN-
  • 17α-Hydroxyprogesterone
  • 17.alpha.-Hydoxyprogesterone
  • MLS000028453
  • 4-08-00-02189 (Beilstein Handbook Reference)
  • Hydroxyprogesterone (INN)
  • hydroxyprogesteron-
  • 17alpha-Hydroxyprogesterone, >=95%
  • HYDROXYPROGESTERONE [INN]
  • s4507
  • 17.alpha.-Hydroxyprogesterone
  • 7A45BEF6-ADD0-4B3E-A014-2DE930D3B67B
  • 17a-Hydroxyprogesterone
  • 4-Pregnen-17.alpha.-ol-3,20-dione
  • HMS2234J04
  • Progesterone, 17alpha-hydroxy-
  • Tox21_111233_1
  • GTPL5104
  • HSDB 3343
  • NCGC00261250-01
  • FD12004
  • NCGC00093949-08
  • HYDROXYPROGESTERONE [VANDF]
  • 17-Alpha-Hydroxyprogesterone, 1mg/ml in Methanol
  • SMR000058349
  • Tox21_301530
  • EINECS 200-699-4
  • BIDD:PXR0103
  • D06WBH
  • HYDROXYPROGESTERONE [HSDB]
  • 17.alpha.-Pregn-4-ene-3,20-dione, 17-hydroxy-
  • LP00565
  • A-Hydroxyprogesterone
  • MLS002695950
  • AKOS015955623
  • D08052
  • hydroxyprogesterone
  • MLS001076300
  • AB00490003-08
  • 17-Hydroxypregn-4-ene-3,20-dione
  • DB14570
  • 17alpha-Hydroxyprogesterone, VETRANAL(TM), analytical standard
  • Hydroxyprogesterone [INN:BAN]
  • 17.alpha.-Hydroxypregna-4-ene-3,20-dione
  • DTXSID6040747
  • HYDROXYPROGESTERONE [WHO-DD]
  • Epitope ID:152220
  • Pregn-4-ene-3,20-dione-17-ol
  • U-3096
  • 17.ALPHA.-HYDROXYPREGN-4-ENE-3,20-DIONE
  • Hidroxiprogesterona [INN-Spanish]
  • CCG-204655
  • CS-O-10309
  • C01176
  • Pregn-4-ene-3,20-dione, 17-hydroxy-
  • Pregn-4-en-17a-ol-3,20-dione
  • 17-Hydroxypregn-4-ene-3,20-dione, (+/-)-
  • 17-Hydroxypregn-4-ene-3,20-dione-, (17.alpha.)-
  • NCGC00255425-01
  • 17alpha-Hydroxy-4-pregnene-3,20-dione
  • SCHEMBL8068
  • CAS-68-96-2
  • BRN 2062088
  • NSC 15468
  • alpha-17Hydroxypregn-4-ene-3,20-dione
  • NSC15468
  • (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • Pregn-4-ene-3,20-dione, 17-hydroxy-, (17a)-
  • NCGC00093949-03
  • Opera_ID_1812
  • HMS2090M08
  • delta(4)-Pregnene-17alpha-ol-3,20-dione
  • CS-4354
  • 17-hydroxy-progesterone
  • 17-a-Hydroxyprogesterone
  • W-104646
  • 4-Pregnen-17alpha-ol-3,20-dione
  • MFCD00003659
  • U 3096
  • KS-5312
  • 68-96-2
  • 17.ALPHA.-HYDROXYPROGESTERONE [MI]
  • (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
  • SDCCGSBI-0050548.P002
  • Pregn-4-ene-3,20-dione, 17-hydroxy-, (17.alpha.)-
  • 17-Hydroxyprogeoterone
  • DTXCID4020747
  • HY-B0891
  • (8R,10R,13S,17R)-17-Acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
  • LS-118696
  • alpha Hydroxy progesterone
  • 604-09-1
  • LMST02030161
  • H1250
  • CHEBI:17252
  • 17alpha hydroxyprogesterone
  • CHEMBL1062
  • 17ALPHA-HYDROXYPROGESTERONE
  • D4-Pregnen-17a-ol-3,20-dione
  • 110850-01-6
  • Tox21_111233
  • BDBM50423511
  • DTXSID00859075
  • 17OHP
  • 17-Hydroxypregn-4-en-3,20-dione
  • 21807M87J2
  • NCGC00093949-05
  • bmse000598
  • Lopac0_000565
  • Q175901
  • Delta4-Pregnen-17alpha-ol-3,20-dione
  • HMS3261B12
  • (1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
  • H 5752
  • bmse000472
  • 17alpha-hydroxy-pregn-4-ene-3,20-dione
  • 17
  • UNII-21807M87J2
  • Tox21_500565
  • Idrossiprogesterone
  • EU-0100565
  • 17?-Hydroxy Progesterone
  • 17-OH Progesterone
  • 3QZ
  • NCGC00093949-04
  • Pregn-4-ene-3, 17-hydroxy-
  • (9beta)-17-Hydroxypregn-4-Ene-3,20-Dione
  • NSC-15468
  • 17 Hydroxyprogesterone
  • 17-alpha-Hydroxypregn-4-ene-3,20-dione
  • 17alpha-Hydroxypregn-4-ene-3,20-dione
  • Hydroxyprogesteronum (INN-Latin)
  • 17 alpha Hydroxyprogesterone
  • 17 alpha-Hydroxyprogesterone
  • 17-Hydroxyprogesterone, (17 alpha)-Isomer
  • NS00115894
  • 17Alpha-hydroxy progesterone
  • Hidroxiprogesterona (INN-Spanish)
物化性质
实验特性
LogP 3.69430
PSA 54.37000
Merck 4839
折射率 90 ° (C=1, CHCl3)
沸点 250.8℃ at 760 mmHg
熔点 217.0 to 221.0 deg-C
闪点 9℃
颜色与性状 Powder
溶解性 易溶于乙醇和乙醚,溶于苯,不溶于水。
密度 1.0998 (rough estimate)
计算特性
精确分子量 330.21900
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 1
同位素质量 330.219
重原子数量 24
复杂度 635
同位素原子数量 0
确定原子立构中心数量 6
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.2
互变异构体数量 10
表面电荷 0
拓扑分子极性表面积 54.4
国际标准相关数据
EINECS 200-699-4
海关数据
海关编码 38220090
生产方法和用途
用途 制药工业上主要用作安宫黄体酮、甲地孕酮等原药的中间体。
生产方法 可用薯蓣皂素经开环、乙酰化、氧化、水解、环氧化、氧化、加成、催化氢化等步反应制得。
合成路线

合成路线:1 步

反应条件:
参考文献:
Progesterone transformations by three species of Humicola
Zohri, A. A.; et al, Folia Microbiologica (Prague), 1999, 44(3), 277-282
相关文献
专业数据库参考
PubChemId 87560353
参考资料
Reaxys RN 3218109
Beilstein 8(4)2189
产品用途
用作甾体激素药中间体
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