Ethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
기본 정보
- CAS
1354892-78-6- 표준 SMILES
CCOC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1- InChIKey
BXFMIILPWULKDH-UHFFFAOYSA-N- 분자식
- C29H32N6O4
- 평균 분자량
- 528.6 g/mol
- 단동위원소 질량
- 528.24850352
이름 및 식별자
- 우선 이름
- Ethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
- IUPAC
- ethyl 3-[[2-[[4-(C-ethoxycarbonimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
- 영어명
- Dabigatran Impurity i
- 분자식
- C29H32N6O4
- 분자량
- 528.61
이름 및 동의어
1354892-78-6Ethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoateSCHEMBL10048254Dabigatran Etexilate Impurity 98858RK34K2PDabigatran Etexilate Impurity 106CS-0165919beta-Alanine, N-[[2-[[[4-(ethoxyiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl esterethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate? (Dabigatran Impurity pound(c)N-[[2-[[[4-(Ethoxyiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl esterDabigatran etexilate impurity DBZII-IMP9 (oligomer) reference substanceβ-Alanine, N-[[2-[[[4-(ethoxyiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
이름 더 보기
Ethyl-3-[[[2-[[(4-[imino(ethoxy)methyl] phenyl) amino] methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridine-2-ylamino] propionate OxalateQ: What is Ethyl-3-[[[2-[[(4-[imino(ethoxy)methyl] phenyl) amino] methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridine-2-ylamino] propionate Oxalate Q: What is the CAS Number of Ethyl-3-[[[2-[[(4-[imino(ethoxy)methyl] phenyl) amino] methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridine-2-ylamino] propionate Oxalate
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 820
물리화학적 성질
- 끓는 점
- 736.9 · 736.9±70.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.3 · 7.30±0.50(Predicted)
관련 반응
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