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59-00-7

59-00-7 structural image
Product Name: XANTHURENIC ACID
Formula: C10H7NO4
Synonyms: 4,8-Dihydroxyquinaldic acid;4,8-Dihydroxyquinoline-2-carboxylic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 289 °C
Collision Cross Section 140.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 205.17 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 205.03750770 g/mol
Monoisotopic Mass 205.03750770 g/mol
Topological Polar Surface Area 86.6 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 336
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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 a metabotropic glutamate receptor agonist, an iron chelator, a vesicular glutamate transport inhibitor and an animal metabolite. It is a quinolinemonocarboxylic acid and a dihydroxyquinoline. It is a conjugate acid of a xanthurenate.