기본 정보
- CAS
86541-77-7- 표준 SMILES
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl- InChIKey
VPSRQEHTHIMDQM-CMXBXVFLSA-N- 분자식
- C24H29ClN2O5
- 평균 분자량
- 460.9 g/mol
- 단동위원소 질량
- 460.1764997
이름 및 식별자
- 우선 이름
- 2-((S)-3-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid hydrochloride
- IUPAC
- 2-[(3S)-3-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochloride
- 영어명
- (1R,3S)-Benazepril Hydrochloride
- 분자식
- C24H28N2O5HCl
- 분자량
- 460.96
이름 및 동의어
86541-77-7(1R,3S)-Benazepril Hydrochloride2-((S)-3-(((R)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid hydrochloride2-[(3S)-3-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochlorideC24H29ClN2O52-((S)-3-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid hydrochloride[(3S)-3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic Acid Hydrochloride ((1R,3S)-Benazepril Hydrochloride)2-[(S)-3-{[(R)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl]acetic acid hydrochloride(1R,3S)-Benazepril HclRMH89YXQ62CID 55513AKOS015847047
이름 더 보기
Benazepril USP RC BBenner Pury hydrochlorideBenazepril HydrochloridecBenazepril Related CoMpound BBenazepril USP Related Compound B(1R,3S)-Benazepril Hydrochloride USP/EP/BPBenazepril Impurity 8(Benazepril USP RC B)Benazepril Related Compound B as Hydrochloride
Benazepril Related Compound B [USP-RS]1H-1-Benzazepine-1-acetic acid, 3-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, monohydrochloride, (3S)-FE151358Benazepril Related Compound B hydrochloride(3S) 3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid, monohydrochloride(3S)-3-[[(1R)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid hydrochloride (1:1)1H-1-Benzazepine-1-acetic acid, 3-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, hydrochloride (1:1), (3S)-1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, monohydrochloride, [S-(R*,S*)]
데이터베이스 식별자
- CAS
86541-77-7- PubChem CID
- 55513
- UNII
- RMH89YXQ62
물성
구조 계산 물성
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 619
물리화학적 성질
- 녹는점
- 181 · 181-183 °C(Solv: 2-butanone (78-93-3))
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- powder
- 주요 응용
- 소분자 약용
- InChIKey
- VPSRQEHTHIMDQM-CMXBXVFLSA-N
- SMILES
- Cl.N1(c2c(cccc2)CC[C@@H](C1=O)N[C@H](CCc3ccccc3)C(=O)OCC)CC(=O)O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933790002
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(1R,3S)-Benazepril Hydrochloride is an isomer of Benazepril (B119750), an angiotensin converting enzyme inhibitor and a antihypertensive agent.
일반 설명Benazepril hydrochloride,(3S)-3-[[(1S)-1-carbethoxy-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid 3-ethylester hydrochloride (Lotensin), is metabolized rapidly to theactive diacid benazaprilat. As with the ACE prodrugs, nomutagenicity has been found, even though these drugs crossthe placenta.
공급사39 곳
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