Analyte Name

Ticagrelor KSM-I

Molecular Formula

C18 H18 O6 . C10 H19 N O4

Molecular Weight

547.594

Accurate Mass

547.242

SMILES

Cc1ccc(OC(C(Oc2ccc(C)cc2)C(=O)O)C(=O)O)cc1.CC3(C)O[C@@H]4C(N)CC(OCCO)[C@@H]4O3

InChI

InChI=1S/C18H18O6.C10H19NO4/c1-11-3-7-13(8-4-11)23-15(17(19)20)16(18(21)22)24-14-9-5-12(2)6-10-14;1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h3-10,15-16H,1-2H3,(H,19,20)(H,21,22);6-9,12H,3-5,11H2,1-2H3/t;6?,7?,8-,9+/m.1/s1

IUPAC

2-[[(3aS,6aR)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;2,3-bis(4-methylphenoxy)butanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat