기본 정보
- CAS
137863-90-2- 표준 SMILES
CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)OC)C(C)C- InChIKey
SUQNCOFVJNHEKQ-DEOSSOPVSA-N- 분자식
- C25H30N2O3
- 평균 분자량
- 406.5 g/mol
- 단동위원소 질량
- 406.22564282
이름 및 식별자
- 우선 이름
- N-((2'-Cyano(1,1'-biphenyl)-4-yl)methyl)-N-(1-oxopentyl)-L-valine methyl ester
- IUPAC
- methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
- 현지명
- 메틸N-발레릴-N-[(2'-시아노비페닐-4-일)메틸]-L-발리네이트
- 영어명
- Valsartan cyano analog methyl ester
- 분자식
- C25H30N2O3
- 분자량
- 406.52
이름 및 동의어
Valsartan impurity FN-[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]-N-(1-OXOPENTYL)-L-VALINE METHYL ESTER6X37Q93CWNL-Valine, N-((2'-cyano(1,1'-biphenyl)-4-yl)methyl)-N-(1-oxopentyl)-, methyl esterN-((2'-Cyano(1,1'-biphenyl)-4-yl)methyl)-N-(1-oxopentyl)-L-valine methyl esterL-Valine, N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-, methyl esterRefChem:201935604-049-4137863-90-2Valsartan Impurity 69UNII-6X37Q93CWNmethyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
이름 더 보기
메틸N-발레릴-N-[(2'-시아노비페닐-4-일)메틸]-L-발리네이트Valsartan Cyano Analog Methyl Ester(S)-methyl 2-(N-((2'-cyano-[1,1'-biphenyl]N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)methyl N-valeryl-N-[(2'-cyanobiphenyl-4-yl)methyl]-L-valinate(S)-Methyl 2-(N-((2'-cyanobiphenyl-4-yl)Methyl)pentanaMido) -3-Methylbutanoate
(S)-Methyl 2-(N-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoateValsartan Impurity 14N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-N-pentanoyl-L-valine Methyl EsterSUQNCOFVJNHEKQ-DEOSSOPVSA-N[N-(2-Cyanobiphenyl-4-yl)methyl]n-valery-(l)-valine methyl esterL-Valine, N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-, methyl ester; N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine methyl esterMETHYL (2S)-2-[N-({2'-CYANO-[1,1'-BIPHENYL]-4-YL}METHYL)PENTANAMIDO]-3-METHYLBUTANOATESCHEMBL2033
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 70.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 601
물리화학적 성질
- 끓는 점
- 579.3 · 579.3±50.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- -0.99 · -0.99±0.70(Predicted)
- 색상
- 투명 무색
화학 및 산업
응용 분야
용도N-[(2''-Cyano[1,1''-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine Methyl Ester is an impurity of the drug Valsartan (V095750), which is a nonpeptide angiotensin II AT1-receptor antagonist. Antihypertensive.
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하류 제품
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