Analyte Name

N-Des-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxy)-N-(1-methyl-4-oxopiperidin-3-yl) Edoxaban (Mixture of Diastereomers)

Molecular Formula

C22H31ClN6O4

Molecular Weight

478.98

Accurate Mass

478.21

SMILES

ClC(C=N1)=CC=C1NC(C(N[C@@H]2[C@@H](C[C@H](CC2)C(N(C)C)=O)NC3C(CCN(C)C3)=O)=O)=O

InChI

InChI=1S/C22H31ClN6O4/c1-28(2)22(33)13-4-6-15(16(10-13)25-17-12-29(3)9-8-18(17)30)26-20(31)21(32)27-19-7-5-14(23)11-24-19/h5,7,11,13,15-17,25H,4,6,8-10,12H2,1-3H3,(H,26,31)(H,24,27,32)/t13-,15-,16+,17?/m0/s1

IUPAC

N1-(5-Chloropyridin-2-yl)-N2-((1S,2R,4S)-4-(dimethylcarbamoyl)-2-((1-methyl-4-oxopiperidin-3-yl)amino)cyclohexyl)oxalamide

Country of Origin

CANADA

Product Format

Neat