Analyte Name

Ticagrelor DP1-d7

Molecular Formula

C14 D7 H17 N4 O4 S

Molecular Weight

351.473

Accurate Mass

351.196

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Sc1nc(N)cc(N[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)n1

InChI

InChI=1S/C14H24N4O4S/c1-2-5-23-14-17-10(15)7-11(18-14)16-8-6-9(22-4-3-19)13(21)12(8)20/h7-9,12-13,19-21H,2-6H2,1H3,(H3,15,16,17,18)/t8-,9+,12+,13-/m1/s1/i1D3,2D2,5D2

IUPAC

(1S,2S,3R,5S)-3-[[6-amino-2-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)pyrimidin-4-yl]amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat