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HIT212718402
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HIT212718402
  • HIT ID:HIT212718402
  • Cas No:198414-30-1
  • 常用名:Telapristone
  • 别名:metabolite of telapristone acetate (CDB-4124)
    别名:metabolite of telapristone acetate (CDB-4124)
  • IUPAC:(1R,3aS,3bS,10R,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-1-(2-methoxyacetyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
    IUPAC:(1R,3aS,3bS,10R,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-1-(2-methoxyacetyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
  • InChI key:BHERMCLNVOVDPU-DQFOBABISA-N
  • 分子式:C29H37NO4
  • 分子量:463.618
  • 氢键供体数 (HBD):1
  • 氢键受体数 (HBA):5
  • LogP:4.0066404
  • SMILES:[H][C@@]12CC[C@](O)(C(=O)COC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |c:16,22|
    SMILES:[H][C@@]12CC[C@](O)(C(=O)COC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |c:16,22|
  • Telapristone, is the active metabolite of telapristone acetate (also known as CDB-4124). Telapristone is a selective progesterone receptor modulator (SPRM) being studied for the treatment of certain progesterone-sensitive conditions.
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