HIT ID: HIT212074570
Cas No: 188591-67-5
分子式: C21H29NO6S
分子量: 423.52
常用名: Traxoprodil Mesylate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 2.0620441
IUPAC: 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol; methanesulfonic acid
IUPAC: 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol; methanesulfonic acid
SMILES: CS(O)(=O)=O.C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
SMILES: CS(O)(=O)=O.C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
InChI key: OZBWUANKVIMZIA-WRRDZZDISA-N
