3'-N-(nitroso)-3'-N-demethyl Azithromycin-D3

Analyte Name

3'-N-(nitroso)-3'-N-demethyl Azithromycin-D3

Molecular Formula

C37H66D3N3O13

Molecular Weight

766.99

Accurate Mass

766.5

SMILES

C[C@@]([C@H](O)[C@H]1C)(O)[C@@H](CC)OC([C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@](C)(OC)C2)[C@H](C)[C@@H](O[C@H]3[C@H](O)[C@@H](N(N=O)C)C[C@@H](C)O3)[C@@](O)(C)C[C@H](CN1C([2H])([2H])[2H])C)=O

InChI

InChI=1S/C37H69N3O13/c1-14-26-37(10,46)30(42)23(6)39(11)18-19(2)16-35(8,45)32(53-34-28(41)25(40(12)38-47)15-20(3)49-34)21(4)29(22(5)33(44)51-26)52-27-17-36(9,48-13)31(43)24(7)50-27/h19-32,34,41-43,45-46H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36?,37-/m1/s1/i11D3

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-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-6-(methyl-d3)-15-oxo-1-oxa-6-azacyclopentadecan-11-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-4-yl)-N-methylnitrous amide

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat