Analyte Name

2-Cl-IB-MECA-13C,d3

Molecular Formula

13C C17 D3 H15 Cl I N6 O4

Molecular Weight

548.742

Accurate Mass

548.034

SMILES

[2H][13C]([2H])([2H])NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23

InChI

InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1/i1+1D3

IUPAC

(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-(trideuterio(113C)methyl)oxolane-2-carboxamide

Unlabelled CAS Number

163042-96-4

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat