Desethyl Dabigatran Etexilate

CAS : 212321-78-3

Ref. TR-D289070

Informations sur le produit

• Nom: Desethyl Dabigatran Etexilate
• Synonymes: BIBR 1087 SE, N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-ß-alanine, Desethyl Pradaxa, 1-Methyl-2-[N-[4-(N-n-hexyloxycarbonylamidino)phenyl]-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-hydroxycarbonylethyl)-amide, N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-|A-alanine

Description

Applications A metabolite of Dabigatran Etexilate (D100150).
References Clarke, S., et al.: Chem. Res. Toxicol., 7, 836 (1994), Amet, Y., et al.: Biochem. Pharmacol., 50, 1775 (1995), Clement, B., et al.: Drug Metab. Dispos., 31, 645 (2003),

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 599.68
• Formule: C₃₂H₃₇N₇O₅
• Couleur/Forme: Off-White
• InChI: InChI=1S/C32H37N7O5/c1-3-4-5-8-19-44-32(43)37-30(33)22-10-13-24(14-11-22)35-21-28-36-25-20-23(12-15-26(25)38(28)2)31(42)39(18-16-29(40)41)27-9-6-7-17-34-27/h6-7,9-15,17,20,35H,3-5,8,16,18-19,21H2,1-2H3,(H,40,41)(H2,33,37,43)
• Code InChI: InChIKey=UGEWTLXHMYKLCO-UHFFFAOYSA-N
• SMILES: CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)O)c4ccccn4)ccc3n2C)cc1