HIT ID: HIT214317901
Cas No: 4410-48-4
分子式: C20H27ClN2O2
分子量: 362.9
常用名: Ajmaline hydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,9R,10S,12R,13S,14R,16S,17S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5-triene-14,18-diol hydrochloride
IUPAC: (1R,9R,10S,12R,13S,14R,16S,17S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5-triene-14,18-diol hydrochloride
SMILES: Cl.[H][C@]12C[C@]34C(O)[C@@]1([H])[C@@]1([H])C[C@]([H])(N2[C@H](O)[C@H]1CC)[C@]3([H])N(C)c1ccccc41 |TLB:5:4:14:7.9.11,5:7:12.11:17.15,20:12:2.7:17.15,3:2:12.11:17.15,17:9:14:4.20.3,15:14:4.20.3:7.9.11,16:15:2.7:12.11,22:20:14:7.9.11,29:4:14:7.9.11,THB:5:7:14:4.20.3,18:17:2.7:12.11|
SMILES: Cl.[H][C@]12C[C@]34C(O)[C@@]1([H])[C@@]1([H])C[C@]([H])(N2[C@H](O)[C@H]1CC)[C@]3([H])N(C)c1ccccc41 |TLB:5:4:14:7.9.11,5:7:12.11:17.15,20:12:2.7:17.15,3:2:12.11:17.15,17:9:14:4.20.3,15:14:4.20.3:7.9.11,16:15:2.7:12.11,22:20:14:7.9.11,29:4:14:7.9.11,THB:5:7:14:4.20.3,18:17:2.7:12.11|
InChI key: FNCWZVOLGCRECX-XNHKCSGYSA-N
