Florfenicol

HCID 114811CAS 73231-34-2

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Grundinformationen

Standard-SMILES: CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1
InChIKey: AYIRNRDRBQJXIF-NXEZZACHSA-N
Summenformel: C12H14Cl2FNO4S
Durchschnittliche Molmasse: 358,2 g/mol
Monoisotopische Masse: 357,00046251

Überblick

Florfenicol is a carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture. It has a role as an antimicrobial agent. It is a secondary carboxamide, a secondary alcohol, a sulfone, an organochlorine compound and an organofluorine compound. It is functionally related to a dichloroacetic acid.

Namen und Bezeichner

Bevorzugter Name: Florfenicol
IUPAC: 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
Englischer Name: FLORFENICOL
Summenformel: C12H14Cl2FNO4S
Molmasse: 358.21

Namen und Synonyme

Florfenicol73231-34-2Nuflor(-)-FlorfenicolSch-25298Sch 25298Nuflor gold2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamideDTXSID9045500Acetamide, 2,2-dichloro-N-((1S,2R)-1-(fluoromethyl)-2-hydroxy-2-(4-(methylsulfonyl)phenyl)ethyl)-D-threo-2,2-Dichloro-N-(alpha-(fluoromethyl)-beta-hydroxy-p-(methylsulfonyl)phenethyl)acetamide9J97307Y1H

Weitere Namen anzeigen

FLORFENICALFLEROXACINLACTATEAQUAFENorfenicoLAquafen NuflorFlorfenicol APIFlorfenicol98%MinFlorfenicol, 98.5%

NSC-759287Acetamide, 2,2-dichloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-DTXCID7025500CHEBI:87185OSURNIA COMPONENT FLORFENICOLZELERIS COMPONENT FLORFENICOL2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]acetamideAquaflor

Datenbank-Bezeichner

CAS: 73231-34-2、76639-94-6
PubChem CID: 114811
DTXSID: DTXSID9045500
ChEMBL: CHEMBL1241590
ChEBI: CHEBI:87185
UNII: 9J97307Y1H
EC Number: 620-107-1、642-986-0
Nikkaji: J128.612I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 91,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 21
Formalladung: 0
Komplexität: 447

Experimentelle und physikochemische Eigenschaften

Drugs · 3 Einträge

Pharmaceuticals -> Antibiotics

Pharmaceuticals -> Antibiotics (Amphenicols)

Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use

LogP0.96

Animal Drugs · 2 Einträge

Active Ingredients (Florfenicol) -> FDA Greenbook

Pharmaceuticals -> UK Veterinary Medicines Directorate List

Collision Cross Section · 3 Einträge

170.7 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

169.78 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

170.95 Å² [M+Na]+

Physikochemische Eigenschaften

Schmelzpunkt: 153 °C · 153°C
Aggregatzustand: solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 4% (4 of 101) of reports.

Danger

H361 (92.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P264, P270, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 101 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.