HIT ID: HIT212654947
Cas No: 43229-80-7
分子式: C42H52N4O12
分子量: 804.894
常用名: Eformoterol Hemifumarate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 4
LogP: 1.0566727
IUPAC: (2E)-but-2-enedioic acid; N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide; N-{2-hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide
IUPAC: (2E)-but-2-enedioic acid; N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide; N-{2-hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide
SMILES: OC(=O)\C=C\C(O)=O.COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1
SMILES: OC(=O)\C=C\C(O)=O.COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1
InChI key: OBRNDARFFFHCGE-CWDANITOSA-N
