Chemical Compound

6-{[(1S,3aS,3bR,5R,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl]sulfanyl}-N-butyl-N-methylhexanamide

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6-{[(1S,3aS,3bR,5R,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl]sulfanyl}-N-butyl-N-methylhexanamide 结构式
Primary record

6-{[(1S,3aS,3bR,5R,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl]sulfanyl}-N-butyl-N-methylhexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44422488
SMILES
CCCCN(C)C(=O)CCCCCS[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3O)C)C4=C1C=C(C=C4)O
Canonical SMILES
CCCCN(C)C(=O)CCCCCS[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc21

名称与同义词

  • CHEMBL373383
  • 6beta-(Thiaheptanamide)estradiol
  • BDBM50241159
  • J947.717I
  • N-Butyl-N-methyl-6-[3,17beta-dihydroxy-1,3,5(10)-estratriene-6beta-ylthio]hexanamide
  • N-Butyl-N-methyl-6-[3,17beta-dihydroxyestra-1(10),2,4-triene-6beta-ylthio]hexanamide
  • 6-{[(1S,3aS,3bR,5R,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl]sulfanyl}-N-butyl-N-methylhexanamide
  • N-butyl-6-((6R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-ylthio)-N-methylhexanamide