TelMisartan불순물B
Telmisartan isomer t-butyl ester
기본 정보
- CAS
1026438-56-1- 표준 SMILES
CCCc1nc2cc(-c3nc4ccccc4n3C)cc(C)c2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1- InChIKey
ZDOPWPNJFDIROE-UHFFFAOYSA-N- 분자식
- C37H38N4O2
- 평균 분자량
- 570.7 g/mol
- 단동위원소 질량
- 570.29947647
이름 및 식별자
- 우선 이름
- Telmisartan isomer t-butyl ester
- IUPAC
- tert-butyl 2-[4-[[7-methyl-5-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate
- 현지명
- TelMisartan불순물B
- 영어명
- TelMisartan IMpurity B
- 분자식
- C37H38N4O2
- 분자량
- 570.72
이름 및 동의어
1026438-56-1Telmisartan isomer t-butyl estertert-butyl 2-[4-[[7-methyl-5-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate8NE5ZZB9XTorb3216772BRB438564'-[(1,7'-Dimethyl-2'-propyl[2,5'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-Biphenyl]-2-carboxylic Acid 1,1-Dimethylethyl Estertert-Butyl 4'-((1,7'-dimethyl-2'-propyl-1H,1'H-[2,5'-bibenzo[d]imidazol]-1'-yl)methyl)-[1,1'-biphenyl]-2-carboxylate[1,1'-Biphenyl]-2-carboxylic acid, 4'-[(1,7'-dimethyl-2'-propyl[2,5'-bi-1H-benzimidazol]-1'-yl)methyl]-, 1,1-dimethylethyl ester1,1-Dimethylethyl 4'-[(1,7'-dimethyl-2'-propyl[2,5'-bi-1H-benzimidazol]-1'-yl)methyl][1,1'-biphenyl]-2-carboxylate4'-[(1,7'-dimethyl-2'-propyl-1h,1'h-2,5'-bibenzo[d]imidazol-1'-yl)methyl] biphenyl-2-carboxylic acid t-butyl ester4'-[(1,7'-Dimethyl-2'-propyl-1H,1'H-2,5'-bibenzo[d]imidazol-1'-yl)methyl] biphenyl-2-carboxylic acid t-butyl ester; tert-butyl 4'-((1,7'-dimethyl-2'-propyl-1H,1'H-[2,5'-bibenzo[d]imidazol]-1'-yl)methyl)-[1,1'-biphenyl]-2-carboxylate
이름 더 보기
TelMisartan불순물BTelmisartan Impurity BTelmisartan Impurity 21ZDOPWPNJFDIROE-UHFFFAOYSA-Ntert-Butyl 4'-[(1,7'-dimethyl-2'-propyl[2,5'-bi-1H-benzo[d]imidazol]-1'-yl)methyl]biphenyl-2-carboxylate
4'-[(1,7'-Dimethyl-2'-propyl-1H,1'H-2,5'-bibenzo[d]imidazol-1'-yl)methyl] biphenyl-2-carboxylic acid t-butyl ester;tert-butyl 4'-((1,7'-dimethyl-2'-propyl-1H,1'H-[2,5'-bibenzo[d]imidazol]-1'-yl)methyl)-[1,1'-biphenyl]-2-carboxylate
데이터베이스 식별자
- CAS
1026438-56-1- PubChem CID
- 11757745
- UNII
- 8NE5ZZB9XT
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 61.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 928
물리화학적 성질
- 끓는 점
- 780.4 · 780.4±70.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.16 · 5.16±0.10(Predicted)
화학 및 산업
응용 분야
용도Telmisartan Impurity B, is the impurity of Telmisartan (T017000), which is an angiotensin II receptor antagonist (angiotensin receptor blocker, ARB) used in the management of hypertension.
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