Roxithromycin Impurity C
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| Category | Bioactive by-products |
| Catalog number | BBF-04633 |
| CAS | 13127-18-9 |
| Molecular Weight | 748.94 |
| Molecular Formula | C37H68N2O13 |
| Purity | >95% |
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Description
An impurity found in the macrolide antibiotic, Clarithromycin. It exhibits antibacterial properties.
Specification
| Synonyms | 9-Erythromycin 9-Oxime; 9-Erythromycin A Oxime; Erythromycin Oxime; Roxithromycin Impurity C; Clarithromycin EP Impurity J |
| Storage | Store at -20°C under inert atmosphere |
| IUPAC Name | (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one |
| Canonical SMILES | CCC1C(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O |
| InChI | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27-/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 |
| InChI Key | KYTWXIARANQMCA-PGYIPVOXSA-N |
Properties
| Appearance | White to Off-white Solid |
| Antibiotic Activity Spectrum | Bacteria |
| Boiling Point | 841.0±65.0°C (Predicted) |
| Melting Point | >159°C (dec.) |
| Density | 1.28±0.1 g/cm3 (Predicted) |
| Solubility | Slightly soluble in Chloroform, DMSO, Ethanol, Methanol |
Reference Reading
1. Characterization of two unknown impurities in roxithromycin by 2D LC-QTOF/MS/MS and NMR
Yu Xu, Bingqi Zhu, Jinjin Zhou, Jian Wang, Yong Jin J Pharm Biomed Anal . 2020 May 30;184:113196. doi: 10.1016/j.jpba.2020.113196.
Two unknown impurities in roxithromycin were discovered and preliminarily characterized by two-dimensional liquid chromatography coupled with QTOF mass analyzer (2D LC-QTOF MS/MS). The column-switching technique of 2D LC made the chromatographic conditions in official standard of roxithromycin compatible with mass spectrometric detector. The complete MS/MS fragmentation patterns of the impurities were studied to obtain structural information of these impurities. Furthermore, these two impurities were separated and purified by preparative HPLC, and their structures were confirmed by 1D and 2D nuclear magnetic resonance (NMR). Structural elucidation of two impurities by1H NMR,13C NMR, the1H-1H COSY, HSQC and HMBC NMR spectra has been discussed. Based on high resolution MS/MS and NMR data, the structures of these two impurities were elucidated respectively as 11-O-[(2-Methoxyethoxy) methyl] roxithromycin and de(N-methyl)-N-formyl roxithromycin. In addition, the mechanisms for formation of the impurities were also proposed.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
