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Xanthurenic acid 100mg

CAT: 0628-A22575-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A22575-100Size:100 mg
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CAS Number
59-00-7

Chemical Information

Xanthurenic Acid

Xanthurenic acid is a quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by hydroxy groups at C-4 and C-8. It has a role as an iron chelator, a metabotropic glutamate receptor agonist, a vesicular glutamate transport inhibitor and an animal metabolite. It is a dihydroxyquinoline and a quinolinemonocarboxylic acid. It is a conjugate acid of a xanthurenate.

CAS Number59-00-7
PubChem CID5699
IUPAC Name8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
Molecular FormulaC10H7NO4
Molecular Weight205.17
XLogP0.9
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity336
SMILES
C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
InChIKey
FBZONXHGGPHHIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthurenic Acid
CAS: 59-00-7
CID: 5699
Formula: C10H7NO4
MW: 205.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.17
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass205.03750770
Monoisotopic Mass205.03750770
Topological Polar Surface Area86.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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