N-(3-Hydroxybutyl)-Azithromycin

Analyte Name

N-(3-Hydroxybutyl)-Azithromycin

Molecular Formula

C41 H78 N2 O13

Molecular Weight

807.064

Accurate Mass

806.55

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)CCC(C)O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O

InChI

InChI=1S/C41H78N2O13/c1-15-30-41(11,50)34(46)27(7)43(13)21-22(2)19-39(9,49)36(56-38-32(45)29(18-24(4)52-38)42(12)17-16-23(3)44)25(5)33(26(6)37(48)54-30)55-31-20-40(10,51-14)35(47)28(8)53-31/h22-36,38,44-47,49-50H,15-21H2,1-14H3/t22-,23?,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1

IUPAC

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-11-[(2S,3R,4S,6R)-3-hydroxy-4-[3-hydroxybutyl(methyl)amino]-6-methyloxan-2-yl]oxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat