Clindamycin-13C,D3 Hydrochloride

Analyte Name

Clindamycin-13C,D3 Hydrochloride

CAS Number

2140264-64-6

Molecular Formula

C17¹³CH30D3ClN2O5S • HCl

Molecular Weight

465.45

Accurate Mass

464.19

SMILES

CCC[C@@H]1C[C@@H](C(N[C@@H]([C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC)O2)[C@@H](Cl)C)=O)N([13C]([2H])([2H])[2H])C1.Cl

InChI

InChI=1S/C18H33ClN2O5S.ClH/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(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1/i3+1D3;

IUPAC

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

Unlabelled CAS Number

2140264-63-5

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat