Analyte Name

Azathioprine-13C3

CAS Number

1346600-71-2

Molecular Formula

13C4 C5 H7 N7 O2 S

Molecular Weight

281.23

Accurate Mass

281.0516

SMILES

[13CH3]n1[13cH]n[13c]([13c]1Sc2ncnc3[nH]cnc23)[N+](=O)[O-]

InChI

InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)/i1+1,4+1,7+1,9+1

IUPAC

6-(3-(1^{13}C)methyl-5-nitro(2,4,5-^{13}C_{3})imidazol-4-yl)sulfanyl-9H-purine

Unlabelled CAS Number

446-86-6

SIL Type

Carbon

Storage Temperature

-20C Freezer

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Metabolite; API

Product Format

Neat

API Family