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2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic Acid Ethyl Ester-[d3]

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General Information
Catalog: BLP-006293
CAS: 1346601-47-5
Molecular Formula: C19H15D3N4O2
Molecular Weight: 337.39

Chemical Structure

Description	2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic Acid Ethyl Ester-[d3] is the labelled analogue of 2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic Acid Ethyl Ester, which is an impurity of Dabigatran.
Synonyms	2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic-d3 Acid Ethyl Ester; Dabigatran Impurity 36-d3
IUPAC Name	ethyl 2-[(4-cyanoanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carboxylate
Related CAS	1117893-66-9 (unlabelled)
Canonical SMILES	CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C#N)C
InChI	InChI=1S/C19H18N4O2/c1-3-25-19(24)14-6-9-17-16(10-14)22-18(23(17)2)12-21-15-7-4-13(11-20)5-8-15/h4-10,21H,3,12H2,1-2H3/i2D3
InChI Key	XTZBKPCEGBUIMM-BMSJAHLVSA-N
Purity	98%
Solubility	Soluble in Chloroform
Appearance	White Solid