N'-(Desmethyl)azithromycin
Grundinformationen
- CAS
172617-84-4- 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](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
FZYUKBLYECHAGN-HOQMJRDDSA-N- Summenformel
- C37H70N2O12
- Durchschnittliche Molmasse
- 735 g/mol
- Monoisotopische Masse
- 734,49287568
Namen und Bezeichner
- Bevorzugter Name
- N'-(Desmethyl)azithromycin
- IUPAC
- (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
- Englischer Name
- N'-DesMethyl AzithroMycin
- Summenformel
- C37H70N2O12
- Molmasse
- 734.96
Namen und Synonyme
172617-84-4N'-(Desmethyl)azithromycin3'-N-DemethylazithromycinN-DemethylazithromycinCP-64434UNII-3E93A68ETOAzithromycin impurity I [EP]3E93A68ETOCP 64434DTXSID30169356N-DEMETHYLAZITHROMYCIN [USP-RS]N-DEMETHYLAZITHROMYCIN (USP-RS)
Weitere Namen anzeigen
Azithromycin-4CP-64434 hydrateAzithromycin EP Imp I3′-N-DesmethylazithromycinNa€-Desmethyl Azithromycin3′-N-Demethyl Azithromycin
AZITHROMYCIN IMPURITY I (EP IMPURITY)AZITHROMYCIN IMPURITY I [EP IMPURITY]Azithromycin Impurity IRefChem:160565DTXCID6091847N'-Desmethyl Azithromycin(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one3'-N-Desmethylazithromycin
Datenbank-Bezeichner
- CAS
172617-84-4- PubChem CID
- 9987533
- DTXSID
DTXSID30169356- ChEMBL
CHEMBL2022716- UNII
- 3E93A68ETO
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 189 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 51
- Formalladung
- 0
- Komplexität
- 1.120
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Metabolite of Azithromycin
Physikochemische Eigenschaften
- Siedepunkt
- 821.4 · 821.4±65.0 °C(Predicted)
- Dichte
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- Löslichkeit
- 10 mg/mL · DMSO: ≥10mg/mL
- Aggregatzustand
- powder
- pka
- 13.28 · 13.28±0.70(Predicted)
- Farbe
- white to off-white
- Stabilität
- Hygroscopic
- InChIKey
- SREHTTJVVFKIEQ-SXEMRNGDSA-N
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
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