Acetaminophen Glutathione-13C2,15N Disodium Salt

Analyte Name

Acetaminophen Glutathione-13C2,15N Disodium Salt

Molecular Formula

13C2 C16 H22 15N N3 Na2 O8 S

Molecular Weight

502.405

Accurate Mass

502.091

SMILES

CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(=O)O[Na])C(=O)[15NH][13CH][13C](=O)O[Na])c1

InChI

InChI=1S/C18H23N4O8S.2Na/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30;;/h2,4,6-7,11-12,24H,3,5,8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30);;/q;2*+1/p-2/t11-,12-;;/m0../s1/i7+1,16+1,20+1;;

IUPAC

disodium;(2S)-5-[[(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-1-(oxidocarbonyl(113C)methyl(15N)amino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoate

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat