Grundinformationen
- Standard-SMILES
CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1- InChIKey
JDLSRXWHEBFHNC-UHFFFAOYSA-N- Summenformel
- C18H18F3NO2
- Durchschnittliche Molmasse
- 337,3 g/mol
- Monoisotopische Masse
- 337,12896348
Überblick
Ufenamate is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- Ufenamate
- IUPAC
- butyl 2-[3-(trifluoromethyl)anilino]benzoate
- Englischer Name
- ufenamate
- Summenformel
- C18H18F3NO2
- Molmasse
- 337.34
Namen und Synonyme
ufenamate67330-25-0Butyl flufenamateCombecFlufenamic acid butyl esterUfenamatoUfenamatum8Z7O7C1SLZDTXSID30867269RefChem:900977DTXCID10815465614-050-1
Weitere Namen anzeigen
Etofenamate EP Impurity BHF-264ufemateButyl NWufena ester
Butyl 2-((3-(trifluoromethyl)phenyl)amino)benzoatefenazolUfenamato [Spanish]butyl 2-[3-(trifluoromethyl)anilino]benzoateMFCD00866001HF 264s5261CCG-267880
Datenbank-Bezeichner
- CAS
67330-25-0- PubChem CID
- 5632
- DTXSID
DTXSID30867269- ChEMBL
CHEMBL2105605- ChEBI
CHEBI:32276- UNII
- 8Z7O7C1SLZ
- EC Number
- 614-050-1
- Nikkaji
- J22.205D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,8
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 400
Experimentelle und physikochemische Eigenschaften
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
DrugsPharmaceuticals -> Musculo-skeletal system -> Anti-inflammatory and antirheumatic products
Physikochemische Eigenschaften
- Siedepunkt
- 170 °C/1mmHg · 170°C/1mmHg(lit.)
- Dichte
- 1.223 · 1.2230 (estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.553 to · 1.5530 to 1.5570
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 44 mg/mL · DMSO: ≥ 44 mg/mL (130.43 mM)
- Aggregatzustand
- clear liquid
- pka
- -2.36 · -2.36±0.50(Predicted)
- Farbe
- White to Yellow to Green
- Merck
- 14 · 14,4132
- InChI
- InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3
- InChIKey
- JDLSRXWHEBFHNC-UHFFFAOYSA-N
- SMILES
- C(OCCCC)(=O)C1=CC=CC=C1NC1=CC=CC(C(F)(F)F)=C1
- LogP
- 6.92 · 6.92
Sicherheit und Regulatorisches
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 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationREACH registered substance: Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-, butyl ester (EC: 614-050-1)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2922.49.2600
- RTECS-Nr.
- DH8511000
Chemie und Industrie
Anwendungen
BeschreibungButyl flufenamate is a topical, non-steroidal antiinflammatory agent indicated for the treatment of acute and chronic eczema; contact, seborrheic, and atopic dermatitis; and herpes zoster.
VerwendenUfenamate serves an ointment in treatment of facial hormone-dependent dermatitis, treatment of cephalic chronic eczema and neurodermatitis
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