Analyte Name

Clindamycin-13C,D3 Sulfoxide

Molecular Formula

C17¹³CH30D3ClN2O6S

Molecular Weight

444.99

Accurate Mass

444.2

SMILES

O[C@H]1[C@@H]([C@H](NC([C@@H]2C[C@@H](CCC)CN2[13C]([2H])([2H])[2H])=O)[C@@H](Cl)C)O[C@H](S(C)=O)[C@H](O)[C@H]1O

InChI

InChI=1S/C18H33ClN2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(27-16)28(4)26/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12-,13+,14-,15-,16-,18-,28?/m1/s1/i3+1D3

IUPAC

(2S,4R)-N-((1S,2S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfinyl)tetrahydro-2H-pyran-2-yl)propyl)-1-(methyl-13C-d3)-4-propylpyrrolidine-2-carboxamide

Unlabelled CAS Number

22431-46-5

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat