Clindamycin 3-Palmitate Hydrochloride

Analyte Name

Clindamycin 3-Palmitate Hydrochloride

CAS Number

30747-19-4

Molecular Formula

C34H63ClN2O6S •HCl

Molecular Weight

699.85

Accurate Mass

698.4

SMILES

O[C@H]1[C@@H]([C@H](NC(C2C[C@@H](CCC)CN2C)=O)[C@@H](Cl)C)O[C@H](SC)[C@H](O)[C@H]1OC(CCCCCCCCCCCCCCC)=O.Cl

InChI

InChI=1S/C34H63ClN2O6S.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-29(39)31(43-34(44-5)30(32)40)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4;/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41);1H/t24-,25+,26+,28+,29-,30+,31+,32-,34+;/m0./s1

IUPAC

(2R,3S,4S,5R,6R)-2-((1S,2S)-2-chloro-1-((4R)-1-methyl-4-propylpyrrolidine-2-carboxamido)propyl)-3,5-dihydroxy-6-(methylthio)tetrahydro-2H-pyran-4-yl palmitate hydrogen chloride

Alternate CAS Number

Free Base: 68225-59-2

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat