Analyte Name

3,4-O-p-Anisylideneclindamycin Palmitate Hydrochloride

CAS Number

25670-17-1

Molecular Formula

C42H70Cl2N2O7S

Molecular Weight

817.99

Accurate Mass

816.43

SMILES

CCCCCCCCCCCCCCCC(O[C@@H]1[C@@H]2[C@@H](OC(C3=CC=C(OC)C=C3)O2)[C@@H]([C@H](NC([C@@H]4C[C@@H](CCC)CN4C)=O)[C@@H](Cl)C)O[C@@H]1SC)=O.Cl

InChI

InChI=1S/C42H69ClN2O7S.ClH/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-22-34(46)49-39-38-37(50-41(51-38)31-23-25-32(48-5)26-24-31)36(52-42(39)53-6)35(29(3)43)44-40(47)33-27-30(21-8-2)28-45(33)4;/h23-26,29-30,33,35-39,41-42H,7-22,27-28H2,1-6H3,(H,44,47);1H/t29-,30+,33-,35+,36+,37-,38-,39+,41?,42+;/m0./s1

IUPAC

(3aS,4R,6R,7R,7aS)-4-((1S,2S)-2-chloro-1-((2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamido)propyl)-2-(4-methoxyphenyl)-6-(methylthio)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-yl palmitate hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat