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Xanthurenic acid

Xanthurenic acid structure

CAS No:
59-00-7
Formula:
C10H7NO4
Chemical Name:
Xanthurenic acid
Synonyms:
2-Quinolinecarboxylic acid,4,8-dihydroxy-;Quinaldic acid,4,8-dihydroxy-;4,8-Dihydroxy-2-quinolinecarboxylic acid;4,8-Dihydroxyquinaldic acid;Xanthurenic acid;Xanthuric acid;8-Hydroxykynurenic acid;NSC 401570;37203-30-8
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Xanthurenic acid is a putative endogenous Group II metabotropic glutamate receptor agonist, on sensory transmission in the thalamus.

Solid

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.

Xanthurenic acid Basic Attributes

Molecular Weight：

205.17

Exact Mass：

205.17

EC Number：

200-410-1

UNII：

58LAB1BG8J

NSC Number：

401570

DSSTox ID：

DTXSID90207728

HScode：

29334900

Characteristics

PSA：

90.65000

XLogP3：

2.64

Appearance：

Ochre Powder

Density：

1.6±0.1 g/cm3

Melting Point：

289 °C

Boiling Point：

514.4±50.0 °C at 760 mmHg

Flash Point：

264.9±30.1 °C

Refractive Index：

1.779

Storage Conditions：

Store at RT

Collision Cross Section：

140.5 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|132.51 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|140.4 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|147.7 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|134.3 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|137.7 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]|134.6 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

UZ9275000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS. (See all compounds classified as Hypolipidemic Agents.)

Metabolism/Metabolites：

Xanthurenic acid has known human metabolites that include Xanthurenic acid 8-O-sulfate.

MeSH Entry Terms：

8-hydroxykynurenic acid

Xanthurenic acid Use and Manufacturing

caspase activator, guanylyl cyclase stimulant

Computed Properties

Molecular Weight:205.17
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:205.03750770
Monoisotopic Mass:205.03750770
Topological Polar Surface Area:86.6
Heavy Atom Count:15
Complexity:336
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4,8-Dihydroxyquinoline-2-carboxylic acid

CAS No.: 59-00-7

Content: 99.00%

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