Basic information
- CAS
857078-26-3- Standard 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]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@H]1C- InChIKey
VUPHMOHDOYHVSB-VZIFPMBTSA-N- Molecular formula
- C37H70N2O11
- Average molar mass
- 719 g/mol
- Monoisotopic mass
- 718.49796105
Names & identifiers
- Preferred name
- N-Desmethyl Azithromycin B
- IUPAC
- (2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
- English name
- N-Desmethyl Azithromycin B
- Molecular formula
- C37H70N2O11
- Molecular weight
- 718.97
Names & synonyms
857078-26-3N-Desmethyl Azithromycin B(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-2-ethyl-4,10-dihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-ss-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one; N-Desmethyl azithromycin BN-DesmethylAzithromycinBAzithromycin Impurity 45Azithromycin Impurity 55 (N-Desmethyl Azithromycin EP Impurity B)(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-4,10-dihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]ox1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-4,10-dihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-
Database identifiers
- CAS
857078-26-3- PubChem CID
- 171370600
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Boiling point
- 803.8 · 803.8±65.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- solubility
- soluble in DCM, Ethyl Acetate, Methanol
- pka
- 13.5 · 13.50±0.70(Predicted)
- form
- Foam
- color
- White
Chemistry & industry
Applications
UsesN-Desmethyl Azithromycin B Is an impurity of Azithromycin (A927000), a semi-synthetic macrolide antibiotic, and related to Erythromycin A.
Suppliers2 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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