Analyte Name

N-Hydroxy Ticagrelor-d7

Molecular Formula

C23 D7 H21 F2 N6 O5 S

Molecular Weight

545.611

Accurate Mass

545.225

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Sc1nc(N(O)[C@@H]2C[C@H]2c3ccc(F)c(F)c3)c4nnn([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)c4n1

InChI

InChI=1S/C23H28F2N6O5S/c1-2-7-37-23-26-21-18(28-29-30(21)16-10-17(36-6-5-32)20(34)19(16)33)22(27-23)31(35)15-9-12(15)11-3-4-13(24)14(25)8-11/h3-4,8,12,15-17,19-20,32-35H,2,5-7,9-10H2,1H3/t12-,15+,16+,17-,19-,20+/m0/s1/i1D3,2D2,7D2

IUPAC

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

Unlabelled CAS Number

1644461-92-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat