HIT ID: HIT218833668
Cas No:
分子式: C40H66N2O12
分子量: 777.031
常用名: Bisoprolol-d5 Hemifumarate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2E)-but-2-enedioic acid; bis(1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)(2H5)propan-2-ol)
IUPAC: (2E)-but-2-enedioic acid; bis(1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)(2H5)propan-2-ol)
SMILES: OC(=O)\C=C\C(O)=O.[2H]C([2H])(NC(C)C)C([2H])(O)C([2H])([2H])Oc1ccc(COCCOC(C)C)cc1.[2H]C([2H])(NC(C)C)C([2H])(O)C([2H])([2H])Oc1ccc(COCCOC(C)C)cc1
SMILES: OC(=O)\C=C\C(O)=O.[2H]C([2H])(NC(C)C)C([2H])(O)C([2H])([2H])Oc1ccc(COCCOC(C)C)cc1.[2H]C([2H])(NC(C)C)C([2H])(O)C([2H])([2H])Oc1ccc(COCCOC(C)C)cc1
InChI key: VMDFASMUILANOL-AANJRGLWSA-N
