3'-N-Demethyl-3'-N-formylazithromycin

Analyte Name

3'-N-demethyl-3'-N-formylazithromycin

CAS Number

612069-28-0

Molecular Formula

C38 H70 N2 O13

Molecular Weight

762.97

Accurate Mass

762.4878

SMILES

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C=O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O

InChI

InChI=1S/C38H70N2O13/c1-14-27-38(10,47)31(43)24(6)39(11)18-20(2)16-36(8,46)33(53-35-29(42)26(40(12)19-41)15-21(3)49-35)22(4)30(23(5)34(45)51-27)52-28-17-37(9,48-13)32(44)25(7)50-28/h19-33,35,42-44,46-47H,14-18H2,1-13H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

IUPAC

N-[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N-methylformamide

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Product Type

Impurity

Product Format

Neat

Impurity Type

By-Product

API Family

Azithromycin