Desethyldabigatran Etexilate

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For Research Use Only | Not For Clinical Use
CATAPS212321783A
CAS212321-78-3
Structure
SynonymsN-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine,Desethyl Dabigatran Etexilate, BIBR 1087 SE
IUPAC Name3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
Molecular Weight599.68
Molecular FormulaC32H37N7O5
Canonical SMILESCCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)cc1
InChIInChI=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)
Accurate Mass599.2856
API FamilyMatrix - API Family Dabigatran Etexilate Mesilate
FormatNeat
Product TypeImpurity
ShippingRoom Temperature
Size25MG
Storage Conditions+5°C
SubcategoryAnticoagulants, Mikromol, Impurity standards
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