(+-)-Norketamine
Grundinformationen
- CAS
35211-10-0- Standard-SMILES
NC1(c2ccccc2Cl)CCCCC1=O- InChIKey
BEQZHFIKTBVCAU-UHFFFAOYSA-N- Summenformel
- C12H14ClNO
- Durchschnittliche Molmasse
- 223,7 g/mol
- Monoisotopische Masse
- 223,0763918
Überblick
Norketamine is a member of the class of cyclohexanones that is cyclohexanone in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by an amino group. It is the major metabolite of ketamine. It has a role as an antinociceptive agent, an antidepressant, an analgesic, a nicotinic antagonist, a drug metabolite, a NMDA receptor antagonist and a human xenobiotic metabolite. It is a member of cyclohexanones, a primary amino compound and a member of monochlorobenzenes.
Namen und Bezeichner
- Bevorzugter Name
- (+-)-Norketamine
- IUPAC
- 2-amino-2-(2-chlorophenyl)cyclohexan-1-one
- Englischer Name
- 2-Amino-2-(2-chlorophenyl)cyclohexanone hydrochloride
- Summenformel
- C12H14ClNO
- Molmasse
- 223.7
Namen und Synonyme
norketamine35211-10-0N-Demethylketamine2-Amino-2-(o-chlorophenyl)cyclohexanoneN-desmethylketamineXQY6JVF94XCyclohexanone, 2-amino-2-(2-chlorophenyl)-J397.916DDTXSID40891434(+-)-Norketamine(+--)-norketamineRefChem:905512
Weitere Namen anzeigen
NorketamineHClNORKETAMINEFREEFORMNORKETAMINE HYDROCHLORIDE(+/-)-NORKETAMINE HYDROCHLORIDENorketamine (1 mg/ml in Acetonitrile)Norketamine (1.0mg/ml in Acetonitrile)2-(2-Chlorophenyl)-2-aminocyclohexanone
DTXCID008388252-amino-2-(2-chlorophenyl)cyclohexan-1-one2-(o-Chlorophenyl)-2-aminocyclohexanoneCHEBI:91519(+/-)-NorketamineUNII-XQY6JVF94X2-amino-2-(2-chlorophenyl)cyclohexanoneKetamine-M nor
Datenbank-Bezeichner
- CAS
35211-10-0- PubChem CID
- 123767
- DTXSID
DTXSID40891434- ChEMBL
CHEMBL1039- ChEBI
CHEBI:91519- UNII
- XQY6JVF94X
- Nikkaji
- J397.916D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 256
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Illicit drugs
Collision Cross Section
147.1 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
139.89 Ų [M+H-NH3]+
Physikochemische Eigenschaften
- Siedepunkt
- 368.6 · 368.6±42.0 °C(Predicted)
- Dichte
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- Desiccate at RT
- pka
- 6.7 · pKa 6.7 (Uncertain)
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsKidney
Cellular LocationsCytoplasm
Anwendungen
VerwendenA labelled metabolite of Ketamine (K165300).
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…