2701-50-0 (乙酰环丙孕酮醋酸酯,6-Deschloro Cyproterone Acetate)

CAS号:
2701-50-0
中文名称:
乙酰环丙孕酮醋酸酯
英文名称:
6-Deschloro Cyproterone Acetate
分子式:
C24H30O4
分子量:
382.492607593536

乙酰环丙孕酮醋酸酯(2701-50-0)名称与标识符

名称

中文别名:
乙酰环丙孕酮醋酸酯;醋酸环丙孕酮乙酰物;17-羟基-1a,2a-亚甲基孕-4,6-二烯-3,20-二酮醋酸酯;4-甲基-7-[[3,4,6-三-O-乙酰基-2-脱氧-2-[(三氟乙酰基)氨基]-ALPHA-D-吡喃葡萄糖基]氧基]-2H-1-苯并吡喃-2-酮;环丙孕酮杂质A;环丙孕酮中间体1 色普龙酰化物;色普龙氯化物;色普龙酰化物;17-羟基-1a,2a-亚甲基孕-4,6-二烯-3,20-二酮乙酸酯;醋酸环丙孕酮酰化物;
英文别名:
17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate;6-Deschloro Cyproterone Acetate;1-CHLOROMETHYL-6-CHLORO-6-DEHYDRO-17A-ACETOXY PROGESTERONE;17-Hydroxy-1α,2α-methylenepregna-4,6-diene-3,20-dione acetate;3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione,1b,2b-dihydro-17-hydroxy-, acetate (8CI);Pregna-4,6-diene-3,20-dione, 17-hydroxy-1a,2a-methylene-, acetate (6CI,7CI);Cyclopropa[1,2]cyclopenta[a]phenanthrene,3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione deriv.;3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione,17-(acetyloxy)-1,2-dihydro-, (1b,2b)- (9CI);(2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR)-6-acetyl-3b,5a-Dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate;AKOS025285998;2701-50-0;6-Deschloro-cyproterone acetate;(1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione;17alpha-acetoxy-1alpha,2alpha-methylene-4,6-pregnadiene-3,20-dione;17-Hydroxy-1alpha,2alpha-methylenepregna-4,6-diene-3,20-dione acetate;Pregna-4,6-diene-3,20-dione, 17-hydroxy-1;CYPROTERONE ACETATE IMPURITY A [EP IMPURITY];DTXSID201129275;SCHEMBL9168274;ARUYPSAYKHCXNE-UQNNAPNASA-N;3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-1,2-dihydro-, (1beta,2beta)-;689QR3QTC2;A-methylene-, acetate;BCP08488;3,20-dioxo-1beta,2beta-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-trien-17-yl acetate;A,2;3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-1,2-dihydro-, (1ss,2ss)-; 3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 1ss,2ss-dihydro-17-hydroxy-, acetate (8CI); Pregna-4,6-diene-3,20-dione, 17-hydroxy-1a,2a-methylene-, acetate (6CI,7;(1I(2),2I(2))-17-(Acetyloxy)-1,2-dihydro-3a(2)H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione;

标识符

MDL:
MFCD01735918
InChIKey:
ARUYPSAYKHCXNE-UQNNAPNASA-N
Inchi:
1S/C24H30O4/c1-13(25)24(28-14(2)26)10-8-18-16-6-5-15-11-21(27)17-12-20(17)23(15,4)19(16)7-9-22(18,24)3/h5-6,11,16-20H,7-10,12H2,1-4H3/t16-,17+,18-,19-,20-,22-,23-,24-/m0/s1
SMILES:
O(C(C)=O)[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC([C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C)=O

乙酰环丙孕酮醋酸酯(2701-50-0)物化性质

实验特性

  • LogP : 4.04110
  • PSA : 60.44000
  • 折射率 : 1.576
  • 沸点 : 518.4 °C at 760 mmHg
  • 熔点 : 280-281 ºC
  • 蒸气压 : 0.0±1.4 mmHg at 25°C
  • 闪点 : 224.7 °C
  • 颜色与性状 : Powder
  • 密度 : 1.21

计算特性

  • 精确分子量 : 382.21400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 382.21440943g/mol
  • 重原子数量 : 28
  • 复杂度 : 853
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : 3.3
  • 拓扑分子极性表面积 : 60.4Ų

乙酰环丙孕酮醋酸酯(2701-50-0)上下游

乙酰环丙孕酮醋酸酯(2701-50-0)参考资料

Reaxys RN:
PubChem CID: