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Nalidixic acid sodium salt

CAT: 0957-E1905-50mgSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0957-E1905-50mgSize:50 mg
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CAS Number
3374-05-8
Target
Topoisomerase
Applications
DNA Damage/DNA Repair
Molecular Formula
C12H12N2O3.Na
Additionnal Information
Nalidixic acid sodium salt is an inhibitor of bacterial DNA gyrase and topoisomerase IV, essential enzymes for DNA supercoiling during replication, making it an effective quinolone antibiotic against both gram-positive and gram-negative bacteria.

Chemical Information

Nalidixate Sodium Anhydrous

See also: Nalidixic Acid (has active moiety).

CAS Number3374-05-8
PubChem CID3864541
IUPAC Namesodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
Molecular FormulaC12H11N2NaO3
Molecular Weight254.22
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity384
SMILES
CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+]
InChI
InChI=1S/C12H12N2O3.Na/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;/h4-6H,3H2,1-2H3,(H,16,17);/q;+1/p-1
InChIKey
ROKRAUFZFDQWLE-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Nalidixate Sodium Anhydrous
CAS: 3374-05-8
CID: 3864541
Formula: C12H11N2NaO3
MW: 254.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.22
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass254.06673650
Monoisotopic Mass254.06673650
Topological Polar Surface Area73.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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