Dabigatran

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Formula C25H25N7O3
IUPAC Name 3-[[2-[[4-[azanidylidene(λ1-azanyl)methyl]anilino]methyl]-1-methyl-benzimidazol-3-ium-7a-ide-5-carbonyl]-(3,4-dihydro-2h-pyridin-2-ylium-3,4-diid-6-yl)amino]propanoate
Molecular Mass 471.511 g·mol−1
Heat of Formation 1418.1 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 545.6 Å 3
Surface Area 469.99 Å 2
Point Group Symmetry C1
Synonyms
  • 3-[[2-[[(4-amidinophenyl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid
  • 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid
  • 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoic acid
  • 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
  • 3-[[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridyl)amino]propanoic acid
  • bibr-953
  • bibr-953zw
  • n-((2-((p-amidinoanilino)methyl)-1-methyl-5-benzimidazolyl)carbonyl)-n-2-pyridyl-beta-alanine
CAS Number(s)
  • 211914-51-1
InChIKey YBSJFWOBGCMAKL-UHFFFAOYSA-N
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