3'-N-[[4-(Acetylamino)phenyl]sulfonyl]-3'-N-demethylazithromycin

Analyte Name

3'-N-[[4-(acetylamino)phenyl]sulfonyl]-3'-N-demethylazithromycin

CAS Number

612069-30-4

Molecular Formula

C45 H77 N3 O15 S

Molecular Weight

932.17

Accurate Mass

931.5075

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)S(=O)(=O)c4ccc(NC(=O)C)cc4)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O

InChI

InChI=1S/C45H77N3O15S/c1-15-34-45(11,55)38(51)28(6)47(12)23-24(2)21-43(9,54)40(26(4)37(27(5)41(53)61-34)62-35-22-44(10,58-14)39(52)29(7)60-35)63-42-36(50)33(20-25(3)59-42)48(13)64(56,57)32-18-16-31(17-19-32)46-30(8)49/h16-19,24-29,33-40,42,50-52,54-55H,15,20-23H2,1-14H3,(H,46,49)/t24-,25-,26+,27-,28-,29+,33+,34-,35+,36-,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1

IUPAC

N-[4-[[(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]-methylsulfamoyl]phenyl]acetamide

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