Structural Formula Vector Image
Title: Dabigatran
CAS Registry Number: 211914-51-1
CAS Name: N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-b-alanine
Additional Names: 3-[[2-[(4-carbamimidoylphenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl]pyridin-2-ylamino]propionic acid
Manufacturers' Codes: BIBR-953
Molecular Formula: C25H25N7O3
Molecular Weight: 471.51
Percent Composition: C 63.68%, H 5.34%, N 20.79%, O 10.18%
Literature References: Nonpeptide, direct thrombin inhibitor. Prepn and crystal structure of complex with thrombin: N. Hauel et al., WO 9837075; eidem, US 6087380 (1998, 2000 both to Boehringer, Ing.); eidem, J. Med. Chem. 45, 1757 (2002). Review of pharmacology: D. Mungall, Curr. Opin. Invest. Drugs 3, 905-907 (2002). Clinical pharmacokinetics: J. Stangier et al., J. Clin. Pharmacol. 45, 555 (2005). Clinical evaluations in joint replacement: B. I. Eriksson et al., J. Thromb. Haemostas. 2, 1573 (2004); idem et al., ibid. 3, 103 (2005).
Properties: White crystals, mp 276-277°. Log P (n-octanol/buffer, pH 7.4): -2.4.
Melting point: mp 276-277°
Log P: Log P (n-octanol/buffer, pH 7.4): -2.4
Derivative Type: Etexilate
CAS Registry Number: 211915-06-9
CAS Name: N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-b-alanine ethyl ester
Additional Names: ethyl 3-[[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propanoate
Manufacturers' Codes: BIBR-1048
Trademarks: Rendix (Boehringer, Ing.)
Molecular Formula: C34H41N7O5
Molecular Weight: 627.73
Percent Composition: C 65.05%, H 6.58%, N 15.62%, O 12.74%
Properties: Colorless crystals, mp 128-129°. Log P (n-octanol/buffer, pH 7.4): 2.6.
Melting point: mp 128-129°
Log P: Log P (n-octanol/buffer, pH 7.4): 2.6
Therap-Cat: Antithrombotic.
Keywords: Antithrombotic.

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