Dabigatran Acyl-β-D-Glucuronide

• Catalog No.: D100085
• CAS Number: 1015167-40-4
• M. F.: C31H33N7O9
• M. W.: 647.63522

SYNONYMS

• IUPAC name: (2S,3S,4S,5R,6S)-6-({3-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido]propanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
• IUPAC Traditional name: (2S,3S,4S,5R,6S)-6-({3-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido]propanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
• Synonyms: N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine β-D-Glucopyranuronosyl Ester

DATABASE IDS

• CAS Number: 1015167-40-4

DETAILS

Description (English)

The major metabolite of Dabigatran (D100090) in humans. Four isomeric acylglucuronides of Dabigatran were isolated and purified from urine of dosed rhesus monkeys. NMR analysis confirmed the structures of the four metabolites as the 1-O-acylglucuronide (β anomer) and the 2-O-, 3-O-, and 4-O-acylglucuronides (α and β anomers).

REFERENCES

• Becker, B., et al.: Biochem. J., 314, 249 (1996)
• Bailey, M., et al.: Chem. Biol. Interact., 145, 117 (1996)
• Blech, S., et al.: Drug Metab. Dispos., 2008, 36, 386 (1996)