기본 정보
- CAS
98626-50-7- 표준 SMILES
CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O- InChIKey
XPCFTKFZXHTYIP-UHFFFAOYSA-N- 분자식
- C24H28N2O5
- 평균 분자량
- 424.5 g/mol
개요
2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid is an alpha-amino acid ester.
이름 및 식별자
- 우선 이름
- 3-[[1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid
- IUPAC
- 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
- 영어명
- benazepril
- 분자식
- C24H28N2O5
- 분자량
- 424.49
이름 및 동의어
98626-50-73-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid3-[[1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acidRefChem:198150O-Ethoxy Benazeprilat2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid1H-1-Benzazepine-1-aceticacid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-,[R-(R*,S*)]- (9CI)2-(3-((1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acidBenazepril Impurity Bs5938SCHEMBL678167CHEMBL1604571
이름 더 보기
RMA-334Benazepril Impurity 8Benazepril Impurity 10Ensitrelvir Impurity 111H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1-carboxymethyl-3(S)-(1(S)-ethoxycarbonyl-3-phenylpropylamino)-2,3,4,5-tetrahydro-1H[1]-benzazepine-2-one[(3RS)-3-[[(1SR)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic Acid
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 619
실험 및 물리화학적 성질
DrugsPharmaceuticals
물리화학적 성질
- 끓는 점
- 691.2 · 691.2±55.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.73 · 3.73±0.10(Predicted)
화학 및 산업
공급사21 곳
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