Roxithromycin

Product Specifications

CAS Number

80214-83-1

Synonyms

Roxithromycin; Erythromycin 9-(E)-[O-[(2-methoxyethoxy)methyl]oxime]; (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-l-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-10-[(E)-[(2-methoxyethoxy)methoxy]imino]-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy]oxacyclotetradecan-2-one

Hazard Statement

Harmful if swallowed; UN number: UN3077; Packing Group: III

Purity

>95% (HPLC)

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)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)\[C@H](C)[C@@H](O)[C@]1(C)O

Molecular Formula

C41 H76 N2 O15

Molecular Weight

837.05

InChI

InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1

Additionnal Information

IUPAC name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one