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

HCID 10017219

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 85175-77-5
표준 SMILES: CNCCCN1CCc2cc(OC)c(OC)cc2CC1=O
InChIKey: WQSGLEUNSRTJDG-UHFFFAOYSA-N
분자식: C16H24N2O3
평균 분자량: 292.37 g/mol

이름 및 식별자

우선 이름: 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
영어명: Ivabradine Impurity 1 Hydrochloride
분자식: C16H24N2O3
분자량: 292.37

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

CAS: 85175-77-5
PubChem CID: 10017219
UNII: 6S8DY68KHW
Nikkaji: J639.953C

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 50.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 21
형식 전하: 0
복잡도: 337

물리화학적 성질

녹는점: 72 · 72-75 °C(Solv: toluene (108-88-3))
끓는 점: 479 · 479.0±45.0 °C(Predicted)
밀도: 1.087 · 1.087±0.06 g/cm3(Predicted)
용해도: soluble in Dichloromethane, Methanol
산도 계수 (pKa): 10.33 · 10.33±0.10(Predicted)

화학 및 산업

응용 분야 · 1건

용도1,3,4,5-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.