Product Code

TRC-D100137

CAS Number

211914-50-0

Product Format

Neat

Molecular Formula

C21¹³C6H29N7O3 • x(HCl)

Molecular Weight

541.99

Product Categories

TRC, Stable isotopes

Product Type

Impurity, Stable Isotope Labelled

Alternate CAS Number

1919877-39-6

Unlabelled CAS Number

211914-50-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Dabigatran-13C6 Ethyl Ester Hydrochloride Salt

CAS Number

211914-50-0

Molecular Formula

C21¹³C6H29N7O3 • x(HCl)

Molecular Weight

541.99

Accurate Mass

541.23

SMILES

CN1C2=CC=C(C(N(C3=CC=CC=N3)CCC(OCC)=O)=O)C=C2N=C1CN[13C]4=[13CH][13CH]=[13C]([13CH]=[13CH]4)C(N)=N.Cl

InChI

InChI=1S/C27H29N7O3.ClH/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29;/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29);1H/i7+1,8+1,10+1,11+1,18+1,20+1;

IUPAC

ethyl 3-(2-(((4-carbamimidoylphenyl-1,2,3,4,5,6-13C6)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate hydrogen chloride

Alternate CAS Number

1919877-39-6

Unlabelled CAS Number

211914-50-0

SIL Type

Carbon

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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