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Product Overview

Product Code

TRC-D100091

CAS Number

1210608-88-0

Product Format

Neat

Molecular Formula

C1913C6H25N7O3

Molecular Weight

477.47

API Family

Dabigatran, Dabigatran Etexilate Mesylate

Product Categories

TRC, Enzyme inhibitors, Metabolites & bioactive compounds, Enzyme inhibitors, Metabolites & bioactive compounds, API Reference Standards & Research Materials, Stable isotopes, Stable Isotope Labelled Analytical Standards, Impurity Reference Materials

Product Type

Impurity, Stable Isotope Labelled, API

Unlabelled CAS Number

211914-51-1

Documentation

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Product Information

Chemical Data

Analyte Name

Dabigatran-13C6

CAS Number

1210608-88-0

Molecular Formula

C1913C6H25N7O3

Molecular Weight

477.47

Accurate Mass

477.222

SMILES

O=C(N(C1=CC=CC=N1)CCC(O)=O)C2=CC=C3N(C(CN[13C]4=[13CH][13CH]=[13C](C(N)=N)[13CH]=[13CH]4)=NC3=C2)C

InChI

InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)/i5+1,6+1,8+1,9+1,16+1,18+1

IUPAC

3-[[2-[[(4-carbamimidoyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid

Unlabelled CAS Number

211914-51-1

SIL Type

Carbon

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Dabigatran; Dabigatran Etexilate Mesylate

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