Analyte Name

Ticagrelor-N-Glucuronide

Molecular Formula

C27 H32 F2 N6 O9 S

Molecular Weight

654.64

Accurate Mass

654.192

SMILES

CCCSc1nc(N([C@@H]2C[C@H]2c3ccc(F)c(F)c3)C4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c5[N]N=[N]([C@H]6C[C@H](O)[C@@H](O)[C@H]6O)c5n1

InChI

InChI=1S/C27H32F2N6O9S/c1-2-5-45-27-30-23(16-24(31-27)35(33-32-16)14-8-15(36)18(38)17(14)37)34(13-7-10(13)9-3-4-11(28)12(29)6-9)25-21(41)19(39)20(40)22(44-25)26(42)43/h3-4,6,10,13-15,17-22,25,36-41H,2,5,7-8H2,1H3,(H,42,43)/t10-,13+,14-,15-,17-,18+,19-,20-,21+,22-,25?/m0/s1

IUPAC

(2S,3S,4S,5R)-6-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-[3-propylsulfanyl-9-[(1S,2S,3R,4S)-2,3,4-trihydroxycyclopentyl]-2,4,7?2,8,9?5-pentazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-5-yl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat