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기본 정보
- CAS
114772-55-3- 표준 SMILES
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
FGCNIDUBRIVYBP-UHFFFAOYSA-N- 분자식
- C22H22ClN3O
- 평균 분자량
- 379.9 g/mol
- 단동위원소 질량
- 379.14514
이름 및 식별자
- 우선 이름
- 4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)(1,1'-biphenyl)-2-carbonitrile
- IUPAC
- 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile
- 영어명
- 4’-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[1,1’-Biphenyl]-2-carbonitrile
- 분자식
- C22H22ClN3O
- 분자량
- 379.88
이름 및 동의어
114772-55-3Des[2'-(1H-tetrazol-5-yl)] 2-cyanolosartan6XP2V6YP8QDTXSID90560148Des(2'-(1H-tetrazol-5-yl)) 2-cyanolosartan4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)(1,1'-biphenyl)-2-carbonitrile4'-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-carbonitrile4'-{[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}[1,1'-biphenyl]-2-carbonitrileRefChem:1069016DTXCID905109262-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile4'-[(2-BUTYL-4-CHLORO-5-HYDROXYMETHYL-1H-IMIDAZOL-1-YL)METHYL]-1,1'-BIPHENYL-2-CARBONITRILE
이름 더 보기
1'-Biphenyl]-2-carbonitrileBenzene,1,3,5-tribromo-2,4,10-trimethyl-4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-4'-[(2-butyl-4-chloro-5-hydroxymethyl)-1H-imidazol-1-yl)methyl]-[14′-(2-butyl-4-chloro-5-hydroxyMethyliMidzole-1-ylMethyl)- biphenyl-2-carbonitrile4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carbonitrile
2-n-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-[1,1'-biphenyl]-2-carbonitrileMFCD16619233[1,1'-Biphenyl]-2-carbonitrile, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-Losartan Impurity 3Losartan Impurity 8C22H22ClN3OFGCNIDUBRIVYBP-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
114772-55-3- PubChem CID
- 14425664
- DTXSID
DTXSID90560148- UNII
- 6XP2V6YP8Q
- EC Number
- 601-328-2
- Nikkaji
- J1.906.406I
물성
구조 계산 물성보충 중
- XLogP
- 4.8
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 499
물리화학적 성질
- 녹는점
- 157 · 157-158°C
- 끓는 점
- 605.6 · 605.6±55.0 °C(Predicted)
- 밀도
- 1.19 · 1.19
- 저장 조건
- Refrigerator
- 용해도
- DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 산도 계수 (pKa)
- 13.66 · 13.66±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
용도Des[2’-(1H-tetrazol-5-yl)] 2-Cyanolosartan is a derivative of Losartan Potassium (L470500), a an angiotensin II antagonist and is commonly used to significantly reduce risk of new onset atrial fibrillation and associated stroke in high-risk patients.
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