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Dabigatran etexilate-[d13]

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General Information
Catalog: BLP-013913
Molecular Formula: C34H28D13N7O5
Molecular Weight: 640.82

Chemical Structure

Description	One of the isotopic labelled form of Dabigatran Etexilate, which is a direct thrombin inhibitor and could be used as an oral anticoagulant agent.
Synonyms	ethyl 3-(2-(((4-(N-(((hexyl-d13)oxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
IUPAC Name	ethyl 3-[[1-methyl-2-[[4-[(Z)-N'-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Related CAS	211915-06-9 (unlabelled)
Canonical SMILES	CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N
InChI	InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)/i1D3,4D2,6D2,7D2,10D2,21D2
InChI Key	KSGXQBZTULBEEQ-BTQQZDERSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO
Storage	Store at -20°C