Rolapitant hydrochloride
HIT212657865
sdf文件结构编辑类似物检索
HIT ID: HIT212657865
Cas No: 858102-79-1
分子式: C25H27ClF6N2O2
分子量: 536.94
常用名: Rolapitant hydrochloride
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 5.003099
IUPAC: (5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride
IUPAC: (5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride
SMILES: Cl.C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |lp:0:3,3:2,12:2,13:1,15:1,29:3,30:3,31:3,33:3,34:3,35:3|
SMILES: Cl.C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |lp:0:3,3:2,12:2,13:1,15:1,29:3,30:3,31:3,33:3,34:3,35:3|
InChI key: VEWAWEMXVUFANV-PVBCUUEWSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
10601-3天 购物车
Mcule
SC
33594-5周 购物车
Mcule
SC
3154-5周 购物车
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