Name: Cymipristone
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212712449
Cas No:329971-40-6
常用名:Cymipristone
别名:ZXH-951, ZXH951, ZXH 951
IUPAC:(1S,3aS,3bS,10R,11aS)-10-{4-[cyclohexyl(methyl)amino]phenyl}-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,3bS,10R,11aS)-10-{4-[cyclohexyl(methyl)amino]phenyl}-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:LINHWUOVRCYTCY-FMHBTXFXSA-N

分子式:C34H43NO2
分子量:497.723
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:6.932558
SMILES:[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C1CCCCC1 |c:14,20|
SMILES:[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C1CCCCC1 |c:14,20|

Cymipristone, a progesterone receptor antagonist, is used potentially for termination of intrauterine pregnancy.

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