Sarafloxacin

Description

Sarafloxacin · CAS 98105-99-8 · C20H17F2N3O3. UNII RC3WJ907XY. Dissociation Constants: pKa1= 5.6; pKa2 = 8.2; Collision Cross Section: 203.4 Ų [M+Na]+; Collision Cross Section: 187.09 Ų [M+H]+.

Identification

CAS Registry Number	98105-99-8
PubChem CID	56208
Molecular formula	C20H17F2N3O3
IUPAC name	6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
UNII (FDA)	RC3WJ907XY

Computed Descriptors

Molecular Weight	385.4
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	385.12379774
Monoisotopic Mass	385.12379774
Topological Polar Surface Area	72.9
Heavy Atom Count	28
Formal Charge	0

Physical & Chemical Properties

Dissociation Constants	pKa1= 5.6; pKa2 = 8.2
Collision Cross Section	203.4 Ų [M+Na]+
Collision Cross Section	187.09 Ų [M+H]+
Collision Cross Section	202 Ų [M+H]+

Physical description & handling notes

• Stable under recommended storage conditions. /Sarafloxacin hydrochloride hydrate/
• 204.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8048494]
• 188.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8048494]
• 188.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8048494]
• 193.68 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 199.92 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Regulatory Status

Regulatory & Food Contact	ANTIMICROBIAL_AGENT: Veterinary Drug 0-0.33 µg/kg bw TRS 888-JECFA 50/33 FAS 41-JECFA 50/37
GHS notification summary	100% (3 / 3)

GHS Hazard Classification

GHS notification summary	100% (3 / 3)

Documented Uses

• Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
• Condensation of 7-chloro-1-(p-fluorophenyl)-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid with N-carboethoxypiperazine in hot 1-methyl-2-pyrrolidinone yields the N-carboethoxy derivative of A-56620. Hydrolysis of the derivative with sodium hydroxide in aqueous ethanol followed by treatment with dilute hydrochloric acid gives A-56620.
• Preparation: D. T. W. Chu, European Patent Office patent 131839; idem, USA patent 4730000 (1985, 1988 both to Abbott); ... H. Narita et al., Japanese patent Kokai 85237069 (1985 to Toyama).
• Patent number U.S. 4,730,000 /expired/ March 18, 2005 /Sarafloxacin hydrchloride injection/
• MEDICATION (VET): /Sarafloxacin/ is used for treatment and control of bacterial infections in poultry caused by Escherichia coli and Salmonella spp.
• MEDICATION (VET): Infections of chickens with Escherichia coli serotype O78 can be treated with the antibiotic sarafloxacin. Three experiments were conducted on the administration of this drug to chickens that had been experimentally infected with E. coli. The birds were monitored for 10 days after infection for their average daily gain (ADG) and feed conversion ratio (FCR), and the post-mortem pathology was assessed. In the first experiment, sarafloxacin (20 mg/L, equivalent to 5 mg/kg live weight per day), given

Synonyms

Sarafloxacin; 98105-99-8; Sarafloxacine; 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid; Sarafloxacino; Sarafloxacinum; Difloxacinum [Latin]; DTXSID8048494; 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; RC3WJ907XY; ABBOTT-57135; 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-; A-56620; DTXCID4028468; Difloxacinum (Latin); 1-FPFPOC

Frequently Asked Questions

What are the CAS number and molecular formula of Sarafloxacin?

CAS 98105-99-8; molecular formula C20H17F2N3O3; molecular weight — g/mol.

What other names is Sarafloxacin known by?

Sarafloxacin, 98105-99-8, Sarafloxacine, 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, Sarafloxacino, Sarafloxacinum.

What is the regulatory status of Sarafloxacin?

Documented regulatory listings: ANTIMICROBIAL_AGENT: Veterinary Drug; 0-0.33 µg/kg bw; TRS 888-JECFA 50/33.

Is Sarafloxacin classified as hazardous?

100% of GHS notifications report no hazard classification (3 of 3).

What are the key physical properties of Sarafloxacin?

Dissociation Constants: pKa1= 5.6; pKa2 = 8.2; Collision Cross Section: 203.4 Ų [M+Na]+; Collision Cross Section: 187.09 Ų [M+H]+; Collision Cross Section: 202 Ų [M+H]+.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.