4-​Amino-​N-​(4,​6-​dimethyl-​2-​pyrimidinyl)​-​benzene-​1,​2,​3,​4,​5,​6-​13C6-​sulfonamide Hydrate (2:1)

Analyte Name

Sulfamethazine 13C6 (phenyl 13C6) hemihydrate

CAS Number

1196157-77-3

Molecular Formula

2 13C6 C6 H14 N4 O2 S . H2 O

Molecular Weight

586.587

Accurate Mass

586.218

SMILES

O.Cc1cc(C)nc(NS(=O)(=O)[13c]2[13cH][13cH][13c](N)[13cH][13cH]2)n1.Cc3cc(C)nc(NS(=O)(=O)[13c]4[13cH][13cH][13c](N)[13cH][13cH]4)n3

InChI

InChI=1S/2C12H14N4O2S.H2O/c2*1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h2*3-7H,13H2,1-2H3,(H,14,15,16);1H2/i2*3+1,4+1,5+1,6+1,10+1,11+1;

IUPAC

4-amino-N-(4,6-dimethylpyrimidin-2-yl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene-1-sulfonamide;hydrate

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat