Dabigatran ethyl ester mesylate
기본 정보
- CAS
1466608-48-9- 표준 SMILES
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1.CS(=O)(=O)O- InChIKey
QVBNKEYVFRXLHM-UHFFFAOYSA-N- 분자식
- C28H33N7O6S
- 평균 분자량
- 595.7 g/mol
- 단동위원소 질량
- 595.22130297
이름 및 식별자
- 우선 이름
- Dabigatran ethyl ester mesylate
- IUPAC
- ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;methanesulfonic acid
이름 및 동의어
EJ6LF8QCV8Dabigatran ethyl ester mesylate1466608-48-9Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoate monomethanesulfonatebeta-Alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, ethyl ester, methanesulfonate (1:1)beta-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, methanesulfonate (1:1)UNII-EJ6LF8QCV8SCHEMBL16583204QVBNKEYVFRXLHM-UHFFFAOYSA-N1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridinyl)-N-(2-ethoxycarbonylethyl)amide mesylate1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide mesylateethyl 3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate mesylate
데이터베이스 식별자
- CAS
1466608-48-9- PubChem CID
- 72192622
- UNII
- EJ6LF8QCV8
물성
구조 계산 물성
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 881
관련 반응
2건
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