Methyl-4-acetamido-2-ethoxybenzoat

Ethopabate

HCID 6034CAS 59-06-3

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Grundinformationen

Standard-SMILES: CCOc1cc(NC(C)=O)ccc1C(=O)OC
InChIKey: GOVWOKSKFSBNGD-UHFFFAOYSA-N
Summenformel: C12H15NO4
Durchschnittliche Molmasse: 237,25 g/mol
Monoisotopische Masse: 237,10010796

Überblick

Ethopabate is an amidobenzoic acid.

Namen und Bezeichner

Bevorzugter Name: Ethopabate
IUPAC: methyl 4-acetamido-2-ethoxybenzoate
Lokaler Name: Methyl-4-acetamido-2-ethoxybenzoat
Englischer Name: Ethopabate
Summenformel: C12H15NO4
Molmasse: 237.25

Namen und Synonyme

ETHOPABATEMethyl 4-acetamido-2-ethoxybenzoate59-06-3Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl esterDTXSID6046264DTXCID4026264F4X3L6068ORefChem:58641200-414-3MFCD00075809Methyl 4-(acetylamino)-2-ethoxybenzoateAmprol Plus (veterinary)

Weitere Namen anzeigen

4-Acetamido-2-ethoxybenzoic acid, methyl esterEthopatateEthytpatateIsovaleraldehvdeEthopabate (125 mg)Ethopabate, Vetranal

ETHOPABATE [MI]NCGC00160624-01CHEBI:183844ETHOPABATE [USP MONOGRAPH]Ethyl PabateMethyl 4-acetamido-2-ethoxy-benzoateNCGC00160624-04Ethopabat

Datenbank-Bezeichner

CAS: 59-06-3
PubChem CID: 6034
DTXSID: DTXSID6046264
ChEMBL: CHEMBL458769
ChEBI: CHEBI:183844
UNII: F4X3L6068O
EC Number: 200-414-3
Nikkaji: J4.596I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 64,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 17
Formalladung: 0
Komplexität: 280

Experimentelle und physikochemische Eigenschaften

Animal Drugs · 2 Einträge

Active Ingredients (Ethopabate) -> FDA Greenbook

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

Physikochemische Eigenschaften

Schmelzpunkt: 148 · 148-151 °C
Siedepunkt: 426.1 · 426.1±35.0 °C(Predicted)
Dichte: 1.18 · 1.180±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 50 mg/mL · DMSO: 50 mg/mL (210.75 mM)
Aggregatzustand: A solid
pka: 14.12 · 14.12±0.70(Predicted)
Farbe: White to off-white
Merck: 13 · 13,3781
Major Application: forensics and toxicologypharmaceutical (small molecule)
InChI: InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKey: GOVWOKSKFSBNGD-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(NC(C)=O)C=C1OCC
CAS Datenbank: 59 · 59-06-3(CAS DataBase Reference)
EPA chemische Informationen: Ethopabate (59-06-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Warning

H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester

Hazard Classes and CategoriesAcute Tox. 4 (95.8%)

Sicherheitsdaten

wgk: 3
hs_code: 2924296000
risk_code: 22
hazard_code: Xn
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Pharmakologische Informationen

ATC CodeQP - Antiparasitic products, insecticides and repellents

MeSH Pharmacological ClassificationAgents useful in the treatment or prevention of COCCIDIOSIS in man or animals.

Verwendung und Herstellung

Use Classification · 2 Einträge

Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

Anwendungen · 2 Einträge

BeschreibungEthopabate is a veterinary drug belonging to the class of antibiotics which contains an arylamide with a phenyl ring, a monocyclic aromatic hydrocarbon, and is a very safe drug used for the prophylaxis and treatment of coccidiosis in chickens. It has anticoccidial activity, especially against the intestinal form, and lacks activity against E. tenella of the cecum worm. The drug is a competitor of PABA, which is absorbed by the parasite and interferes with folate synthesis. It has good activity against E. acervulina and some strains of E. maxima and E. brunette. It is used only in combination with amprolium, first at a concentration of 4 ppm and later at a concentration of 40 ppm.This drug reaches peak activity on day 4 of the cycle.

VerwendenA supplementary drug that improves the coccidiostatic effect of nicarbazin and amprolium in order to cure coccidiosis in chickens.