Dabigatran Impurity 9
기본 정보
- CAS
1408238-41-4- 표준 SMILES
CCOC(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C- InChIKey
PPAZZPSWYIRKMT-UHFFFAOYSA-N- 분자식
- C19H21N5O2
- 평균 분자량
- 351.4 g/mol
- 단동위원소 질량
- 351.16952493
이름 및 식별자
- 우선 이름
- Dabigatran Impurity 9
- IUPAC
- ethyl 2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carboxylate
- 영어명
- Dabigatran Impurity 9
- 분자식
- C19H21N5O2
- 분자량
- 351.4
이름 및 동의어
Dabigatran Impurity 91408238-41-4ethyl 2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-1H-benzo[d]imidazole-5-carboxylateethyl 2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carboxylateDes-(3-(Pyridin-2-ylamino)propanoate) Dabigatran Ethyl Ester1H-Benzimidazole-5-carboxylic acid, 2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-, ethyl esterRQ6ZP7QW26Dabigatran Etexilate Impurity USCHEMBL13684697DTXSID301111035CS-W004363F19440
이름 더 보기
Dabigatran etexilate-13Dabigatran Impurity 9 HClDabigatran Ester Impurity 9Dabigatran etexilate impurity1524Dabigatran Impurity 9 HydrochlorideDabigatran Impurity -D (Dabigatran impurity 9)Des-(3-(Pyridin-2-ylamino)propanoate)Dabigatran Ethyl Ester2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic acid ethyl ester
Ethyl 2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylateDes-(3-(Pyridin-2-ylamino)propanoate) Dabigatran Ethyl Ester; 2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-Benzimidazole-5-carboxylic Acid Ethyl Ester; Ethyl 2-[(4-Carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carboxylate
데이터베이스 식별자
- CAS
1408238-41-4- PubChem CID
- 71607574
- DTXSID
DTXSID301111035- UNII
- RQ6ZP7QW26
- Nikkaji
- J3.183.850I
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 506
물리화학적 성질
- 용해도
- 메탄올, 에탄올에 용해됨
화학 및 산업
응용 분야
용도Des-(3-(Pyridin-2-ylamino)propanoate) Dabigatran Ethyl Ester is an intermediate in the synthesis of 2-[[[4-[(Z)-Amino[[(hexyloxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic Acid (A611088), a degradation product of Dabigatran (D100090). which is a drug that is a nonpeptide, direct thrombin inhibitor and an antithrombotic.
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