Mipicoledine
HIT212715849
sdf文件结构编辑类似物检索
HIT ID: HIT212715849
Cas No: 942149-56-6
分子式: C35H48Cl5NO4
分子量: 724.02
常用名: Mipicoledine
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 12.142226
IUPAC: (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4-yl carbonate
IUPAC: (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4-yl carbonate
SMILES: [H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)Oc1c(Cl)c(OC)nc(c1Cl)C(Cl)(Cl)Cl |t:24|
SMILES: [H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)Oc1c(Cl)c(OC)nc(c1Cl)C(Cl)(Cl)Cl |t:24|
InChI key: ZJUUIXYKTPSIOH-LEZJFEBPSA-N
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