(9Z)-Erythromycin A Oxime
Basic information
- CAS
134931-01-4- 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)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
KYTWXIARANQMCA-PGYIPVOXSA-N- Molecular formula
- C37H68N2O13
- Average molar mass
- 748.9 g/mol
- Monoisotopic mass
- 748.47214023
Overview
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Names & identifiers
- Preferred name
- (9Z)-Erythromycin A Oxime
- IUPAC
- (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
- English name
- (9Z)-ErythroMycin A OxiMe
- Molecular formula
- C37H68N2O13
- Molecular weight
- 748.94
Names & synonyms
(9Z)-Erythromycin A Oxime134931-01-4(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(9Z)-Erythromycin 9-OximeC37H68N2O13(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,Z)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10-(hydroxyimino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one9-Erythromycin 9-OximeSCHEMBL8977511KYTWXIARANQMCA-PGYIPVOXSA-NKYTWXIARANQMCA-ZTILBQITSA-NAKOS015895597AE22799
Show more names
erythromycin A (Z)-oximeErythromycin A 9-(Z)-oximeErythromycin, 9-oxime, (9Z)-Erythromycin A 9-Oxime (Z-Isomer)Erythromycin A 9-Oxime/Erythromycin Oxime Z-Isomer/(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-10-(hydroxyimino)-4-(((2R,4R,5S,6S)-5-hydroxy-4-meth
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- Boiling point
- 841 · 841.0±65.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- solubility
- Dichloromethane, Ethyl Acetate
- pka
- 11.96 · 11.96±0.70(Predicted)
- form
- Powder
- color
- Light Yellow
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses(9Z)-Erythromycin A Oxime is a metabolite of Roxithromycin (R700850) in humans.
Related reactions
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Compound notes
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