(-)-Bicuculline methobromide
HIT212666061
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HIT ID: HIT212666061
Cas No: 73604-30-5
分子式: C21H20BrNO6
分子量: 462.296
常用名: (-)-Bicuculline methobromide
氢键受体数 (HBA): 5
氢键供体数 (HBD): 0
LogP: -1.4853793
IUPAC: (5R)-6,6-dimethyl-5-[(10S)-12-oxo-3,5,11-trioxatricyclo[7.3.0.0^{2,6}]dodeca-1,6,8-trien-10-yl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
IUPAC: (5R)-6,6-dimethyl-5-[(10S)-12-oxo-3,5,11-trioxatricyclo[7.3.0.0^{2,6}]dodeca-1,6,8-trien-10-yl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
SMILES: [Br-].C[N+]1(C)CCc2cc3OCOc3cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1OCOc21
SMILES: [Br-].C[N+]1(C)CCc2cc3OCOc3cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1OCOc21
InChI key: BWXCECYGGMGBHD-VOMIJIAVSA-M
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