CAS 85175-77-5 7,8-Dimethoxy-3-[3-(methylamino)propyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (HCID 10017219)

基本情報

CAS: 85175-77-5
標準SMILES: CNCCCN1CCc2cc(OC)c(OC)cc2CC1=O
InChIKey: WQSGLEUNSRTJDG-UHFFFAOYSA-N
分子式: C16H24N2O3
平均分子量: 292.37 g/mol

名称と識別子

優先名称: 7,8-Dimethoxy-3-[3-(methylamino)propyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
IUPAC: 7,8-dimethoxy-3-[3-(methylamino)propyl]-2,5-dihydro-1H-3-benzazepin-4-one
英語名: Ivabradine Impurity 1 Hydrochloride
分子式: C16H24N2O3
分子量: 292.37

名称と別名

85175-77-5Ivabradine Impurity 47,8-Dimethoxy-3-[3-(methylamino)propyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one6S8DY68KHW7,8-dimethoxy-3-[3-(methylamino)propyl]-2,5-dihydro-1H-3-benzazepin-4-oneIvabradine hydrochloride impurity II1,3,4,5-Tetrahydro-7,8-dimethoxy-3-[3-(methylamino)propyl]-2H-3-benzazepin-2-one1,3,4,5-Tetrahydro-7,8-dimethoxy-3-(3-(methylamino)propyl)-2H-3-benzazepin-2-one2H-3-Enzazepin-2-NE, 1,3,4,5-etrahydro-7,8-imethoxy-3-3-(methylamino)ropyl)-7,8-Dimethoxy-3-(3-(methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one7,8-Dimethoxy-3-(3-(methylamino)propyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-2-onestarbld0009185

名称をさらに表示

Ivabradine Impurity 577,8-Dimethoxy-3-(3-(methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one (Ivabradine Impurity)

UNII-6S8DY68KHWSCHEMBL333182WQSGLEUNSRTJDG-UHFFFAOYSA-NG876652H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-7,8-dimethoxy-3-[3-(methylamino)propyl]-7,8-dimethoxy-3-(3-(methylamino)propyl)-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one7,8-dimethoxy-3-[3-(methylamino)-propyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-oneN-[-3-(7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-on-3-yl)-propyl]-methylamine

物性

構造計算による物性

XLogP: 1.2
極性表面積: 50.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 21
形式電荷: 0
複雑度: 337

物理化学的性質

融点: 72 · 72-75 °C(Solv: toluene (108-88-3))
沸点: 479 · 479.0±45.0 °C(Predicted)
比重(密度): 1.087 · 1.087±0.06 g/cm3(Predicted)
溶解性: soluble in Dichloromethane, Methanol
酸解離定数(Pka): 10.33 · 10.33±0.10(Predicted)

化学と産業

応用分野 · 1 件

使用1,3,4,5-Tetrahydro-7,8-dimethoxy-3-[3-(methylamino)propyl]-2H-3-benzazepin-2-one is an intermediate of Ivabradine Hydrochloride (I940500), which is a selective bradycardic agent with direct effect on the pacemaker If current of the sinoatrial node. Antianginal.