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Temafloxacin (Standard)

CAT: 0804-HY-16487RSize: 1 EachDry Ice: NoHazardous: No
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Description
Temafloxacin (Standard) is the analytical standard of Temafloxacin. This product is intended for research and analytical applications. Temafloxacin (TMFX) is an orally active quinolone broad-spectrum antibacterial agent. Temafloxacin is well tolerated in lower respiratory and genitourinary tract infections[1][2].
CAS Number
108319-06-8
Product Name Alternative
TMFX (Standard) ; TA-167 (free acid) (Standard) ; A-62254 (free acid) (Standard)
UNSPSC
12352005
Target
Antibiotic; Bacterial; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/temafloxacin-standard.html
Smiles
O=C(C1=CN(C2=CC=C(F)C=C2F)C3=C(C=C(F)C(N4CC(C)NCC4)=C3)C1=O)O
Molecular Formula
C21H18F3N3O3
Molecular Weight
417.38
References & Citations
[1]Hardy DJ, et al. Comparative antibacterial activities of temafloxacin hydrochloride (A-62254) and two reference fluoroquinolones. Antimicrob Agents Chemother. 1987 Nov;31 (11) :1768-74. |[2]Pankey GA. Temafloxacin: an overview. Am J Med. 1991 Dec 30;91 (6A) :166S-172S.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Temafloxacin

1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is a quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, and 7 by 2,4-difluorophenyl, fluorine, and 3-methylpiperazin-1-yl groups, respectively. It is a quinolone, a monocarboxylic acid, an amino acid, an organofluorine compound, a N-arylpiperazine, a secondary amino compound, a tertiary amino compound and a quinolone antibiotic.

CAS Number108319-06-8
PubChem CID60021
IUPAC Name1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC21H18F3N3O3
Molecular Weight417.4
XLogP0.6
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity721
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F
InChI
InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)
InChIKey
QKDHBVNJCZBTMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Temafloxacin
CAS: 108319-06-8
CID: 60021
Formula: C21H18F3N3O3
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass417.13002593
Monoisotopic Mass417.13002593
Topological Polar Surface Area72.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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