Analyte Name

3'-N-((4-(Acetylamino)phenyl)sulfonyl)-3'-N-demethyl Azithromycin-d4

Molecular Formula

C45 D4 H73 N3 O15 S

Molecular Weight

936.194

Accurate Mass

935.533

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1NC(=O)C)S(=O)(=O)N(C)[C@H]2C[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]3(C)O)[C@@H]2O

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/i16D,17D,18D,19D

IUPAC

N-[2,3,5,6-tetradeuterio-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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat