5-Desthiopropyl-5-hydroxy-ticagrelor

Analyte Name

5-Desthiopropyl-5-hydroxy-ticagrelor

CAS Number

1644461-81-3

Molecular Formula

C20 H22 F2 N6 O5

Molecular Weight

464.42

Accurate Mass

464.162

SMILES

OCCO[C@H]1C[C@H]([C@H](O)[C@@H]1O)n2nnc3c(N[C@@H]4C[C@H]4c5ccc(F)c(F)c5)nc(O)nc23

InChI

InChI=1S/C20H22F2N6O5/c21-10-2-1-8(5-11(10)22)9-6-12(9)23-18-15-19(25-20(32)24-18)28(27-26-15)13-7-14(33-4-3-29)17(31)16(13)30/h1-2,5,9,12-14,16-17,29-31H,3-4,6-7H2,(H2,23,24,25,32)/t9-,12+,13+,14-,16-,17+/m0/s1

IUPAC

(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-hydroxy-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)