Chem
J-GLOBAL ID：201207025009404773   Nikkaji number：J3.014.665D

Dabigatran

ダビガトラン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C25H25N7O3
Molecular formula furigana： C25-H25-N7-O3
Molecular weight： 471.521
InChI： InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
InChI key： YBSJFWOBGCMAKL-UHFFFAOYSA-N
SMILES： Cn1c(CNc2ccc(cc2)C(=N)N)nc2cc(ccc12)C(=O)N(CCC(=O)O)c1ccccn1
Systematic name  (3)：
  • N-[[2-[[[4-[アミノ(イミノ)メチル]フェニル]アミノ]メチル]-1-メチル-1H-ベンゾイミダゾール-5-イル]カルボニル]-N-(2-ピリジル)-β-アラニン
  • 3-[1-(2-{[(4-カルバムイミドイルフェニル)アミノ]メチル}-1-メチル-1H-1,3-ベンゾジアゾール-5-イル)-N-(ピリジン-2-イル)ホルムアミド]プロパン酸
  • 3-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido]propanoic acid
Other name (5)：
  • N-[[2-[[[4-[Amino(imino)methyl]phenyl]amino]methyl]-1-methyl-1H-benzoimidazole-5-yl]carbonyl]-N-(2-pyridyl)-β-alanine
  • BIBR-953
  • BIBR-953ZW
  • Dabigatran
  • ダビガトラン
CAS registry number： 211914-51-1
Application (2)：
antithrombin ,  anticoagulant
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