| CAS Number | 118267-18-8 |
| Catalog Number | AG008VP2(AGN-PC-0PBPSF) |
| Chemical Name | N-Demethyl Roxithromycin |
| IUPAC Name | (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one |
| InChI | InChI=1S/C40H74N2O15/c1-14-28-40(10,48)33(44)23(4)30(42-52-20-51-16-15-49-12)21(2)18-38(8,47)35(57-37-31(43)27(41-11)17-22(3)53-37)24(5)32(25(6)36(46)55-28)56-29-19-39(9,50-13)34(45)26(7)54-29/h21-29,31-35,37,41,43-45,47-48H,14-20H2,1-13H3/b42-30+/t21-,22-,23+,24+,25-,26+,27+,28-,29+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1 |
| InChI Key | HVLDACGFXJHOFG-ZRYUHPERSA-N |
| MDL Number | MFCD28898470 |
| Molecular Formula | C40H74N2O15 |
| Molecular Weight | 823.0200 |
| 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](NC)[C@H]3O)[C@](C)(O)C[C@@H](C)C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O |
| Synonyms | N-Demethylroxithromycin,
N-Demethyl Roxithromycin,
118267-18-8,
(E)-N-Demethylroxithromycin,
DTXSID60438789,
RU 44981,
J-003725,
(9E)-9-[O-[(2-Methoxyethoxy)methyl]oxime]-N-demethyl Erythromycin,
CID10373265,
CID 10373265,
|