N-Phenylanthranilsure
N-Phenylanthranilic Acid
Grundinformationen
- CAS
91-40-7- Standard-SMILES
O=C(O)c1ccccc1Nc1ccccc1- InChIKey
ZWJINEZUASEZBH-UHFFFAOYSA-N- Summenformel
- C13H11NO2
- Durchschnittliche Molmasse
- 213,23 g/mol
- Monoisotopische Masse
- 213,07897859
Überblick
Fenamic acid is an aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. It has a role as a membrane transport modulator. It is an aminobenzoic acid and a secondary amino compound. It is functionally related to an anthranilic acid.
Namen und Bezeichner
- Bevorzugter Name
- N-Phenylanthranilic Acid
- IUPAC
- 2-anilinobenzoic acid
- Lokaler Name
- N-Phenylanthranilsure
- Englischer Name
- N-Phenylanthranilic acid
- Summenformel
- C13H11NO2
- Molmasse
- 213.23
Namen und Synonyme
N-phenylanthranilic acid91-40-7Fenamic acid2-(Phenylamino)benzoic acid2-Anilinobenzoic acidDiphenylamine-2-carboxylic acidPhenylanthranilic acidBenzoic acid, 2-(phenylamino)-2-CarboxydiphenylamineNSC-215211952VN06WBBDTXSID6059025
Weitere Namen anzeigen
2,2'-IMINODIBENZOIC ACIDUDFFDK11111fenamicaciAKOS AU36-M185Vanadium reagento-anilinobenzoicacidphenylanthranilicacid
CHEBI:34756RefChem:598846DTXCID0048717202-066-8o-Anilinobenzoic acidN-Phenyl-o-aminobenzoic acidN-PhenylanthranilicAnthranilic acid, N-phenyl-
Datenbank-Bezeichner
- CAS
91-40-7- PubChem CID
- 4386
- DTXSID
DTXSID6059025
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 49,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 236
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
SpringerMaterials PropertiesAngular frequency
LogP3.52
Vapor Pressure0.00000238 [mmHg]
Physical DescriptionSolid; [Merck Index] Off-white powder; [Alfa Aesar MSDS]
Collision Cross Section144.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 182 · 182-185 °C (lit.)
- Siedepunkt
- 353.22 °C · 353.22°C (rough estimate)
- Dichte
- 1.1544 · 1.1544 (rough estimate)
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzoic acid, 2-(phenylamino)-
Benzoic acid, 2-(phenylamino)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses renal changes (tubules and glomeruli) and proteinuria in 7-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Diphenylamine. See Benzoic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224995
- RTECS-Nr.
- CB3730000
- risk_code
- 36/37/38
- Toxizität
- LD50 ipr-mus: 235 mg/kg RPTOAN 37,105,74
- hazard_code
- Xi
- safety_code
- 26-36-24/25
Chemie und Industrie
Pharmakologische Informationen
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.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Verwendung und Herstellung
Uses
Used to detect vanadium in steel; [Merck Index] Has chloride and potassium channel-blocking activity. [ChemIDplus]
Metal Extraction and Refining [Category: Industry]
General Manufacturing InformationBenzoic acid, 2-(phenylamino)-: ACTIVE
Anwendungen
VerwendenN-Phenylanthranilic acid is used in biological studies for inhibitors of aldo-keto reductase 1C3 based on N-phenyl-aminobenzoates.
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