N-Phenylanthranilsure

N-Phenylanthranilic Acid

HCID 4386CAS 91-40-7
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Grundinformationen

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
ChEMBL
CHEMBL23832
ChEBI
CHEBI:34756
UNII
952VN06WBB
EC Number
202-066-8
Nikkaji
J4.339G

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

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.
Löslichkeit
125 mg/mL · DMSO: 125 mg/mL (586.22 mM)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 2 Einträge

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

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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 · 2 Einträge

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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.

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