Analyte Name

Clindamycin 2-Phosphate-(S)-Sulfoxide

CAS Number

887402-20-2

Molecular Formula

C18H34ClN2O9PS

Molecular Weight

520.96

SMILES

[C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@](S(C)=O)([C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[H])[H]

InChI

InChI=1S/C18H34ClN2O9PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(30-31(25,26)27)18(29-15)32(4)28/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+,32?/m0/s1

IUPAC

[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfinyloxan-3-yl] dihydrogen phosphate

Country of Origin

CANADA

Product Type

API

Product Format

Neat