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Gatifloxacin

CAT: 0926-AC23649-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-AC23649-01Size:10 g
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CAS Number
112811-59-3
Synonyms
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7- (3-methyl-1-piperazinyl) -4-oxo-3-quinolinecarboxylic acid; Tequin; Zymar
MDL Number
MFCD00895399
Smiles
CC1CN (CCN1) C2=C (C=C3C (=C2OC) N (C=C (C3=O) C (=O) O) C4CC4) F
Molecular Formula
C19H22FN3O4
Molecular Weight
375.39 g/mol
Controlled
No

Chemical Information

Gatifloxacin

Gatifloxacin is a monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes. It has a role as an antimicrobial agent, an antiinfective agent and an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is a quinolone, a quinolinemonocarboxylic acid, an organofluorine compound, a N-arylpiperazine and a quinolone antibiotic.

CAS Number112811-59-3
PubChem CID5379
IUPAC Name1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC19H22FN3O4
Molecular Weight375.4
XLogP-0.7
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity653
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
InChIKey
XUBOMFCQGDBHNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gatifloxacin
CAS: 112811-59-3
CID: 5379
Formula: C19H22FN3O4
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass375.15943435
Monoisotopic Mass375.15943435
Topological Polar Surface Area82.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity653
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

Alternative Products

CatalogName
C39SD1097Gatifloxacin

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