N-Phenyl-N-piperidin-4-ylpropionamid
4-(N-Propionylaniline)piperidine
Grundinformationen
- CAS
1609-66-1- Standard-SMILES
CCC(=O)N(c1ccccc1)C1CCNCC1- InChIKey
PMCBDBWCQQBSRJ-UHFFFAOYSA-N- Summenformel
- C14H20N2O
- Durchschnittliche Molmasse
- 232,32 g/mol
- Monoisotopische Masse
- 232,15756326
Überblick
Norfentanyl is a monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 4-(N'-phenyl)piperidin-4-amine with propanoic acid. A major metabolite of fentanyl. It has a role as an opioid analgesic and a drug metabolite. It is an anilide, a member of piperidines and a monocarboxylic acid amide.
Namen und Bezeichner
- Bevorzugter Name
- 4-(N-Propionylaniline)piperidine
- IUPAC
- N-phenyl-N-piperidin-4-ylpropanamide
- Lokaler Name
- N-Phenyl-N-piperidin-4-ylpropionamid
- Englischer Name
- N-Phenyl-N-(4-piperidinyl)propanamide admixture with HCl salt
- Summenformel
- C14H20N2O
- Molmasse
- 232.32
Namen und Synonyme
Norfentanyl1609-66-1N-phenyl-N-(piperidin-4-yl)propionamidePropanamide, N-phenyl-N-4-piperidinyl-N-PHENYL-N-(PIPERIDIN-4-YL)PROPANAMIDEN-phenyl-N-4-piperidinylpropionamideDTXSID20576572MK6D8JV6JCHEBI:62685NSC-89293DTXCID30314464-(N-PROPIONYLANILINE)PIPERIDINE
Weitere Namen anzeigen
N-PHENYL-N-(4-PIPERIDINYL)PROPANAMIDENSC 89293AKOS BBS-00006338Norfentanyl (CRM)NORFENTANYL OXALATEFentanyl Impurity 7Fentanyl EP Impurity BNorfentanyl monohydrateN-4-Piperidylpropionanilide
RefChem:854726216-543-34-(N-propionylanilino)piperidineN-PHENYL-N-(4-PIPERIDINYL)PROPIONAMIDEMFCD00145005CHEMBL3560524N-phenyl-N-4-piperidinylpropanamideN-phenyl-N-(4-piperidyl)propanamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 243
Experimentelle und physikochemische Eigenschaften
Drugs
DEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related
DEA Schedule II Controlled Substance -> Immediate precursors
Pharmaceuticals -> Analgesics (Anesthetics)
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Collision Cross Section156.4 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 92 ℃ · 92℃
- Siedepunkt
- 359.8 · 359.8±35.0 °C(Predicted)
- Dichte
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- Dampfdruck
- 0.001 · 0.001-0.002Pa at 20-25℃
- Löslichkeit
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 20 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
- pka
- 9.81 · 9.81±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- Almost white to light 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
Warning
H302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
DEA schedule II controlled substance
Status: Active Update: 08-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20255
Hazard Classes and CategoriesAcute Tox. 4 (89.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 34-22-36/38
- hazard_code
- C,Xn
- safety_code
- 45-36/37/39-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesNorfentanyl is a known human metabolite of fentanyl.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Anwendungen
BeschreibungNorfentanyl (Item No. ISO60195) is a certified reference material that is classified as an opioid. It is a thermal degradant and major urinary metabolite of the opioid analgesic, fentanyl (Item Nos. ISO60197 | 14719). This product is intended for forensic and research applications.
VerwendenNorfentanyl is a major urinary metabolite of a narcotic analgesic fentanyl.
Ergänzende Hinweise
DefinitionChEBI: A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 4-(N'-phenyl)piperidin-4-amine with propanoic acid. A major metabolite of fentanyl.
Zugehörige Reaktionen
19
Notizen zur Verbindung
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