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기본 정보
- CAS
872728-81-9- 표준 SMILES
CCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O- InChIKey
XETBXHPXHHOLOE-UHFFFAOYSA-N- 분자식
- C35H45N7O8S
- 평균 분자량
- 723.85 g/mol
이름 및 식별자
- 우선 이름
- Dabigatran Etexilate Mesylate
- 현지명
- 다비가트란에티실레이트메실레이트
- 영어명
- Dabigatran Etexilate Mesylate
- 분자식
- C35H45N7O8S
- 분자량
- 723.85
이름 및 동의어
다비가트란에티실레이트메실레이트PradaxaPradaxa MesylateDabigatran mesylateDabigatran Etexilate Mesylate APIEthyl 3-(2-(((4-(N-((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-Hexyl 2-(4-(((5-((3-ethoxy-3-oxopropyl)(pyridin-2-yl)carbaMoyl)-1-Methyl-1H-benzo[d]iMidazol-2-yl)Methyl)aMino)benzylidene)hydrazinecarboxylate Methanesulfonateethyl 3-(2-(((4-(N-((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate methanesulfonate(E)-hexyl 2-(4-((5-((3-ethoxy-3-oxopropyl)(pyridin-2-yl)carbaMoyl)-1-Methyl-1H-benzo[d]iMidazol-2-yl)MethylaMino)benzylidene)hydrazinecarboxylate MethanesulfonateN-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester monomethanesulfonatDabig
데이터베이스 식별자
- CAS
872728-81-9- PubChem CID
- 10439877
- ChEBI
CHEBI:70743
물성
물리화학적 성질
- 녹는점
- 125 °C · >125°C
- 저장 조건
- Refrigerator
- 용해도
- DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 연한 노란색
- 주요 응용
- 제약
- InChIKey
- XETBXHPXHHOLOE-UHFFFAOYSA-N
- SMILES
- S(O)(=O)(=O)C.CN1C(=NC2C=C(C(=O)N(C3N=CC=CC=3)CCC(=O)OCC)C=CC1=2)CNC1C=CC(C(=N)NC(=O)OCCCCCC)=CC=1
화학적 성질
Off-White to Pale Yellow Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
역사Dabigatran Etexilate Mesylate (brand name pradaxa) was discovered from a panel of chemicals with similar structure to benzamidine-based thrombin inhibitor α-NAPAP (N-alpha-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide). Addition of ethyl ester and hexyloxycarbonyl carbamide hydrophobic side chains led to the orally absorbed prodrug, BIBR 1048 (dabigatran etexilate).In March 2008, the European Medicines Agency (EMA) granted marketing authorization for Pradaxa for the prevention of thromboembolic disease following hip or knee replacement surgery and for non-valvular atrial fibrillation.The National Health Service (NHS) in Britain authorized dabigatran for use in preventing blood clots in hip and knee replacement surgery patients. Pradaxa received a Notice of Compliance (NOC) from Health Canada in June 2008,[45] for the prevention of blood clots in patients who have undergone total hip or total knee replacement surgery. Approval for atrial fibrillation patients at risk of stroke came in October 2010.The U.S. Food and Drug Administration (FDA) approved Pradaxa in October 2010, for prevention of stroke in patients with non-valvular atrial fibrillation.In February 2011, the American College of Cardiology Foundation and the American Heart Association added dabigatran to their guidelines for management of non-valvular atrial fibrillation with a class I recommendation.
용도Nonpeptide, direct thrombin inhibitor. Antithrombotic.
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