3-[3-({[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}amino)(1,1,2,2,3,3-2H6)propyl]-7,8-dimethoxy-4,5-dihydro-1H-3-benzazepin-2-one hydrochloride, N-Desmethyl Ivabradine-d6 HCl
HIT218701052
sdf文件结构编辑类似物检索
HIT ID: HIT218701052
Cas No:
分子式: C26H35ClN2O5
分子量: 497.06
常用名: 3-[3-({[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}amino)(1,1,2,2,3,3-2H6)propyl]-7,8-dimethoxy-4,5-dihydro-1H-3-benzazepin-2-one hydrochloride, N-Desmethyl Ivabradine-d6 HCl
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[3-({[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}amino)(1,1,2,2,3,3-2H6)propyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one hydrochloride
SMILES: Cl.[2H]C([2H])(NC[C@H]1Cc2cc(OC)c(OC)cc12)C([2H])([2H])C([2H])([2H])N1CCc2cc(OC)c(OC)cc2CC1=O
InChI key: MIIIKWNQFDQJGS-OTVKAUOOSA-N
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