Grundinformationen
- CAS
479-92-5- Standard-SMILES
Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C- InChIKey
PXWLVJLKJGVOKE-UHFFFAOYSA-N- Summenformel
- C14H18N2O
- Durchschnittliche Molmasse
- 230,31 g/mol
- Monoisotopische Masse
- 230,1419132
Überblick
Propyphenazone is a pyrazolone derivative that is antipyrine substituted at C-4 by an isopropyl group. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a peripheral nervous system drug. It is functionally related to an antipyrine.
Namen und Bezeichner
- Bevorzugter Name
- Propyphenazone
- IUPAC
- 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
- Lokaler Name
- Propyphenazon
- Englischer Name
- Propyphenazone
- Summenformel
- C14H18N2O
- Molmasse
- 230.31
Namen und Synonyme
Propyphenazone479-92-5isopropylantipyrine4-IsopropylantipyrineIsopropylphenazonePropifenazonaYoshipyrinPropifenazonePropyphenazonum1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-oneDTXSID6023529
Weitere Namen anzeigen
Propyphenazon(-)-AsparagineBudirolCausythLarodonCibalginaIsopyrine
4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-oneOED8FV75PY3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-CHEBI:1355384-Isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-oneDTXCID5035291,5-dimethyl-2-phenyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one1,5-dimethyl-4-(1-methylethyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Datenbank-Bezeichner
- CAS
479-92-5- PubChem CID
- 3778
- DTXSID
DTXSID6023529
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 23,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 340
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals
LogP1.94
Human DrugsPharmaceuticals
Ionization Efficiency
Positive
3.36
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section150 Ų [M+H]+ [CCS Type: TW]
Physikochemische Eigenschaften
- Schmelzpunkt
- 102 · 102-105°C
- Siedepunkt
- 372.3 °C · 372.3°C (rough estimate)
- Dichte
- 1.0371 · 1.0371 (rough estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Slightly soluble in water, freely soluble in ethanol (96 per cent) and in methylene chloride.
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Other Safety InformationIMAP assessments - 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.39.9200
- RTECS-Nr.
- CD2800000
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 26-36/37/39
Chemie und Industrie
Pharmakologische Informationen
ATC Code
N - Nervous system
QN - Nervous system
Mechanism of ActionPropyphenazone mediates its anti-inflammatory effects by inhibiting cyclo-oxygenases (COXs), reducing prostaglandin biosynthesis.
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Verwendung und Herstellung
UsesUse (kg; approx.) in Germany (2009): >1000
Use ClassificationPharmaceuticals
General Manufacturing Information3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-: INACTIVE
Anwendungen
BeschreibungThis uncharacterized alkaloid has been described by Hartsen as occurring in Iso_x0002_pyrum thalictroides L. No chemical or physical characteristics are known.
VerwendenAnalgesic; antipyretic; anti-inflammatory.
Anbieter100 Anbieter
北京华美互利生物化工
Zugehörige Reaktionen
1
Notizen zur Verbindung
Wird geladen…