Oxycodone N-oxide
Grundinformationen
- CAS
71539-52-1- Standard-SMILES
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N+](C)([O-])CC[C@]314- InChIKey
GXMDLXQESSRSFB-CAEUUNHDSA-N- Summenformel
- C18H21NO5
- Durchschnittliche Molmasse
- 331,4 g/mol
- Monoisotopische Masse
- 331,14197277
Namen und Bezeichner
- Bevorzugter Name
- Oxycodone N-oxide
- IUPAC
- (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-3-oxido-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one
- Englischer Name
- Oxycodone Related Compound B CII (15 mg) (oxycodone N-oxide)
- Summenformel
- C18H21NO5
- Molmasse
- 331.36
Namen und Synonyme
oxycodone n-oxideOxycodeinone N-oxideBI9GPM78KSUNII-BI9GPM78KS14-Hydroxydihydrocodeinone N-oxide71539-52-1Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, 17-oxide, (5alpha)-MORPHINAN-6-ONE, 4,5-EPOXY-14-HYDROXY-3-METHOXY-17-METHYL-, 17-OXIDE, (5.ALPHA.)-RefChem:169037(5R,9R,13S,14S,17R)-14-hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one N-oxideOxycodone N-Oxide (1.0mg/ml in Methanol)Oxycodone N-Oxide; Codeinone, 7,8-dihydro-14-hydroxy-, N-oxide (6CI); 14-Hydroxydihydrocodeinone N-oxide; Oxycodeinone N-oxide; Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, 17-oxide, (5alpha)-; Oxycodone Related Compound B
Weitere Namen anzeigen
Oxycodone Related Compound BOxycodone USP Related Compound BOxycodone Related CoMpound B CIIOxycodone Hydrochloride Impurity 11Oxycodone Related Compound B(Oxycodone N-oxide)Oxycodone USP Related Compound B (Oxycodone N-Oxide)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 73,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 598
Physikochemische Eigenschaften
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Very Slightly)
- Aggregatzustand
- Solid
- pka
- 12.32 · 12.32±0.20(Predicted)
- Farbe
- Off-White to Pale Yellow
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2939190000
Chemie und Industrie
Anwendungen
VerwendenOxycodone Related Compound B CII (15 mg) (oxycodone N-oxide) is a metabolite of Oxycodone (O870600), a semisynthetic codeine derivative that has been used both as an analgesic and antitussive.
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