Grundinformationen
- Standard-SMILES
COc1ccc2c3c1O[C@H]1[C@@H](OC)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341- InChIKey
HGPQAWTZLJXCTC-SSTWWWIQSA-N- Summenformel
- C19H23NO3
- Durchschnittliche Molmasse
- 313,4 g/mol
- Monoisotopische Masse
- 313,1677936
Überblick
impurity found in semi-synthetic codeine base; structure given in first source; RN given refers to parent cpd 5alpha,6alpha-isomer; RN for cpd without isomeric designation not avail 4/91
Namen und Bezeichner
- Bevorzugter Name
- Codeine methyl ether
- IUPAC
- (4R,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Namen und Synonyme
MethylcodeineCodeine methyl ether2859-16-7O(6)-Codeine methyl ether15M9MY9A04OCMERefChem:918895220-674-16-O-Methyl CodeineDimethylmorphine(4R,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolineO6-Methylcodeine
Weitere Namen anzeigen
6-MethoxycodeineCodeine EP Impurity A6-O-Methyl Codeine (1mg/ml in Acetonitrile)EINECS 220-674-1Methyl codeineUNII-15M9MY9A04O-MethylcodeineMorphinan, 7,8-didehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5.alpha.,6.alpha.)-
Datenbank-Bezeichner
- CAS
2859-16-7- PubChem CID
- 5492619
- DTXSID
DTXSID30951258- ChEMBL
CHEMBL412301- UNII
- 15M9MY9A04
- EC Number
- 220-674-1
- Nikkaji
- J15.153J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 30,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 523
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P284, P301+P317, P304+P340, P319, P330, P342+P316, P403, P403+P233, P405, 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%)
Zugehörige Reaktionen
5
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