Chemical Compound

(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-{3-[(4-methylpiperazin-1-yl)methyl]benzoyloxy}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 3-[(4-methylpiperazin-1-yl)methyl]benzoate

(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-{3-[(4-methylpiperazin-1-yl)methyl]benzoyloxy}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 3-[(4-methylpiperazin-1-yl)methyl]benzoate 结构式
Primary record

(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-{3-[(4-methylpiperazin-1-yl)methyl]benzoyloxy}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 3-[(4-methylpiperazin-1-yl)methyl]benzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101698386
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC(=C4)CN5CCN(CC5)C)CCC6=C3C=CC(=C6)OC(=O)C7=CC=CC(=C7)CN8CCN(CC8)C
Canonical SMILES
CN1CCN(Cc2cccc(C(=O)Oc3ccc4c(c3)CC[C@@H]3[C@@H]4CC[C@]4(C)[C@@H](OC(=O)c5cccc(CN6CCN(C)CC6)c5)CC[C@@H]34)c2)CC1

名称与同义词

  • J730.988K
  • 17beta-Estradiol 3,17-bis[3-[(4-methylpiperazin-1-yl)methyl]benzoate]
  • (1S,3aS,3bR,9bS,11aS)-11a-methyl-7-{3-[(4-methylpiperazin-1-yl)methyl]benzoyloxy}-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 3-[(4-methylpiperazin-1-yl)methyl]benzoate