Deacetamidine Cyano Dabigatran Ethyl Ester-13C6

Analyte Name

Deacetamidine Cyano Dabigatran Ethyl Ester-13C6

CAS Number

1919877-37-4

Molecular Formula

C₂₁¹³C₆H₂₆N₆O₃

Molecular Weight

488.49

Accurate Mass

488.23

SMILES

O=C(C1=CC=C2C(N=C(CN[13C]3=[13C]([H])[13C]([H])=[13C](C#N)[13C]([H])=[13C]3[H])N2C)=C1)N(CCC(OCC)=O)C4=NC=CC=C4

InChI

InChI=1S/C27H26N6O3/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21/h4-12,14,16,30H,3,13,15,18H2,1-2H3/i7+1,8+1,10+1,11+1,19+1,21+1

IUPAC

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

Unlabelled CAS Number

211915-84-3

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat