Analyte Name

1-epi-Edoxaban

CAS Number

500572-10-1

Molecular Formula

C24H30ClN7O4S

Molecular Weight

548.06

Accurate Mass

547.18

SMILES

O=C([C@H]1CC[C@@H](NC(C(NC2=CC=C(Cl)C=N2)=O)=O)[C@H](NC(C(S3)=NC4=C3CN(C)CC4)=O)C1)N(C)C

InChI

InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15+,17+/m0/s1

IUPAC

N1-(5-chloropyridin-2-yl)-N2-((1R,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat