HIT ID: HIT214318185
Cas No: 173830-14-3
分子式: C20H24Cl2N2O5
分子量: 443.32
常用名: Brasofensine Maleate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2Z)-but-2-enedioic acid; {[(1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methylidene}(methoxy)amine
IUPAC: (2Z)-but-2-enedioic acid; {[(1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methylidene}(methoxy)amine
SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])([C@H](C=NOC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C |w:16.15,TLB:15:14:29:11.10,21:19:29:11.10|
SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])([C@H](C=NOC)[C@H](C1)c1ccc(Cl)c(Cl)c1)N2C |w:16.15,TLB:15:14:29:11.10,21:19:29:11.10|
InChI key: XVXRAWKEYKMWFS-FLPMZKGLSA-N
