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

Product Name 2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic-d3 Acid Ethyl Ester
CAT No. CS-T-90073
CAS No. 1346601-47-5
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys CCOC(C1=CC2=C(N(C([2H])([2H])[2H])C(CNC3=CC=C(C#N)C=C3)=N2)C=C1)=O
Canonical Smiles CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C#N)C
InchIKey XTZBKPCEGBUIMM-BMSJAHLVSA-N
Inchl 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
IUPAC ethyl 2-[(4-cyanoanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carboxylate
Controlled No
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2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic-d3 Acid Ethyl Ester is a deuterated form of a benzimidazole derivative that is used in various chemical and pharmaceutical applications. This compound is often referred to as a labeled compound, which means that the hydrogen atoms in its structure have been replaced with deuterium atoms. This labeling technique is commonly used in the research and development of drugs, as it enables researchers to track the metabolism and distribution of a drug in the body. The chemical formula of 2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic-d3 Acid Ethyl Ester is C19H13D3N4O2, and its molecular weight is 333.4 g/mol. This compound is a white to off-white powder that is soluble in organic solvents such as methanol, ethanol, and dimethyl sulfoxide. In terms of usage, 2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic-d3 Acid Ethyl Ester is commonly used as a standard or reference compound in mass spectrometry and nuclear magnetic resonance spectroscopy. It is also used as a tracer or labeling agent in pharmacokinetic studies, where the compound is administered to a subject and its distribution and metabolism are tracked over time. Overall, 2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazole-5-carboxylic-d3 Acid Ethyl Ester is an important compound in the field of chemical and pharmaceutical research, and its deuterated form enables researchers to gain a deeper understanding of the metabolism and distribution of drugs in the body.

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