2-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid

HCID 10312563CAS 139481-72-4

기본 정보

표준 SMILES: CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: VBMKOTRJWPIKMG-UHFFFAOYSA-N
분자식: C43H34N6O3
평균 분자량: 682.8 g/mol
단동위원소 질량: 682.26923897

이름 및 식별자

우선 이름: 2-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid
IUPAC: 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
영어명: Trityl candesartan
분자식: C43H34N6O3
분자량: 682.77

이름 및 동의어

2-Ethoxy-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid2-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acidRefChem:471391Trityl candesartan139481-72-42-Ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylic acidMFCD084361542-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acidC43H34N6O3DTXSID40437932AKOS015896035AC-1477

이름 더 보기

Triphenyl CandesartanN-tityl candesartanTrityl CandesaratanN-Trityl CandesartanN-trimethylcandesartanTrityl Candesartan (C9)Tricycliccandesartan(C9)Candesartan Impurity 8CANDESARTAN INTERMEDIATE A

TritylcandesartanCandesartan Cilexetil Impurity 9AM90290G3PD44GDM8SCHEMBL498030orb1962271orb2900680AB44950

데이터베이스 식별자

CAS: 139481-72-4
PubChem CID: 10312563
DTXSID: DTXSID40437932
UNII: G3PD44GDM8
Nikkaji: J1.640.924C

물성

구조 계산 물성

XLogP: 8.9
극성 표면적: 108 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 11
무거운 원자 수: 52
형식 전하: 0
복잡도: 1,090

물리화학적 성질

녹는점: 163 · 163-165°C
끓는 점: 908.6 · 908.6±75.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated)
물리적 상태: 고체
산도 계수 (pKa): 2.06 · 2.06±0.10(Predicted)
색상: 흰색에서 황백색까지