CAS 151052-40-3 2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde (Losartan Impurity) (HCID 178519404)

기본 정보

CAS: 151052-40-3
표준 SMILES: O=Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChIKey: HQBRKMUDLIZVAS-UHFFFAOYSA-N
분자식: C14H10N4O
평균 분자량: 250.25 g/mol
단동위원소 질량: 250.08546096

이름 및 식별자

우선 이름: 2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde (Losartan Impurity)
IUPAC: 4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
영어명: 2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde (Losartan IMpurity)
분자식: C14H10N4O
분자량: 250.26

이름 및 동의어

151052-40-34-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde (Losartan Impurity)Valsartan Impurity 352'-(1H-tetrazol-5-yl)biphenyl-4-carbaldehydeMFCD204834092'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-carbaldehyde2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-carboxaldehyde2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-carbaldehydeJR846PVT27SCHEMBL1561472SCHEMBL1774532

이름 더 보기

Valsartan impurity 34"2-(1H-Tetrazol-5-yl)-1,1-biphenyl-4-carboxaldehyde"2’-(2H-Tetrazol-5-yl)-[1,1’-biphenyl]-4-carboxaldehyde[1,1'-Biphenyl]-4-carboxaldehyde, 2'-(2H-tetrazol-5-yl)-2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-carbaldehyde (Olmesartan impurity)

2'-(1h-tetrazol-5-yl)-1,1'-biphenyl-4-carboxaldehyde2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-carbaldehydeHQBRKMUDLIZVAS-UHFFFAOYSA-NBGA05240CS-0370584C906892'-(1 H-tetrazol-5-yl)biphenyl-4-carbaldehyde2'-(1H-tetrazol-5-yl)-biphenyl-4-carbaldehyde

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 71.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 304

물리화학적 성질

녹는점: 176 °C · >176°C (dec.)
끓는 점: 516.3 · 516.3±60.0 °C(Predicted)
밀도: 1.319 · 1.319±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under inert atmosphere
용해도: 클로로포름(약간 용해됨, 가온), DMSO(약간 용해됨), 에탄올(약간 용해됨, 가온), 메타
산도 계수 (pKa): 4.14 · 4.14±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
안정성: 공기에 민감한

화학 및 산업

응용 분야 · 1건

용도2''-(1H-Tetrazol-5-yl)-1,1''-biphenyl-4-carboxaldehyde is an impurity of Losartan Potassium (L470500), an angiotensin II antagonist and is commonly used to significantly reduce risk of new onset atrial fibrillation and associated stroke in high-risk patients.