Compound: Salicyluric acid
SMILES: O=C(NCC(=O)O)c1c(O)cccc1
InChIKey: ONJSZLXSECQROL-UHFFFAOYSA-N
Synonyms: Salicyluric acid, 487-54-7, Salicylurate, Salicyloylglycine, N-Salicyloylglycine, o-Hydroxyhippuric acid, N-(2-Hydroxybenzoyl)glycine, 2-Hydroxybenzoylglycine, 2-[(2-hydroxybenzoyl)amino]acetic acid, 2-[(2-hydroxyphenyl)formamido]acetic acid, N-(2-Hydroxybenzoyl)-glycine, NSC-87566, 5BR3P7J05U, DTXSID70197592, NSC-524135, CHEBI:9008, 2-((2-hydroxybenzoyl)amino)acetic acid, CHEBI:132923, 2-((2-hydroxyphenyl)formamido)acetic acid, N-(o-hydroxybenzoyl)glycine, RefChem:884410, DTXCID30120083, 207-661-6, salicylglycine, 2-Hydroxyhippuric acid, Glycine, N-(2-hydroxybenzoyl)-, 2-hydroxy hippuric acid, 2-(2-hydroxybenzamido)acetic acid, N-o-Hydroxybenzoylglycine, o-hydroxy-hippuric acid, (2-Hydroxybenzoyl)glycine, HIPPURIC ACID, o-HYDROXY-, MFCD00002695, [(2-Hydroxybenzoyl)amino]acetic acid, NSC 524135, NSC87566, ortho-Hydroxyhippuric acid, CHEMBL586, Salicyluric Acid (50-80-%), ((2-hydroxybenzoyl)amino)acetic acid, o-Hydroxyhippurate, 2-Hydroxyhippurate, WLN: QV1MVR BQ, ortho-Hydroxyhippurate, Glycine, N-salicyloyl-, 2-Hydroxybenzoylaminoacetic acid, 2-[(2-hydroxyphenyl)carbonylamino]acetic acid, EINECS 207-661-6, NSC 87566, BRN 2213833, UNII-5BR3P7J05U, Salicylursaure, o-hydroxy-Hippurate, 2-hydroxybenzoylaminoacetate, Hippuric acid, 2-hydroxy-, NCIStruc1_000217, NCIStruc2_000217, Salicyluric acid (Standard), Oprea1_189845, Oprea1_844373, 4-10-00-00172 (Beilstein Handbook Reference), SCHEMBL570541, orb1301984, (2-hydroxybenzamido)acetic acid, SCHEMBL29935452, [(2-Hydroxybenzoyl)amino]acetate, 2-(2-hydroxybenzamido)aceticacid, NCI87566, BDBM50328021, CCG-36270, NCGC00013916, NSC524135, SBB000337, (2-Hydroxy-benzoylamino)-acetic acid, (2-hydroxybenzoyl amino)-acetic acid, (2-hydroxy-benzoyl amino)-acetic acid, AKOS000126862, EBC-616108, FH24019, HY-113295R, PS-5117, NCGC00013916-02, NCGC00097025-01, Salicyluric Acid; O-Hydroxyhippuric Acid, acetic acid, 2-(2-hydroxybenzoylamino)-, NCI60_041936, ST013863, o-Hydroxyhippuric acid, analytical standard, HY-113295, 2-Hydroxyhippuric acid (BZ(2-OH)-Gly-OH), CS-0059539, NS00006840, C07588, EN300-252801, G12038, Q2214314, 4DD455E5-CFA8-4AFD-B0A3-267800311FA5, InChI=1/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13, Salicyluric acid (6CI),Glycine, N-(2-hydroxybenzoyl)-Hippuric acid, o-hydroxy- (8CI), N-(o-Hydroxybenzoyl)glycine, Salicyloylglycine, o-Hydroxyhippuric acid, (2-Hydroxybenzoyl)glycine, N-Salicyloylglycine, 2-Hydroxyhippuric acid, NSC 524135
Theoretical properties:
molecular_formula: C9H9NO4
molecular_weight: 195.17 g/mol
exact_mass: 195.05315777 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 14
topological_polar_surface_area: 86.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 168 °C
Descriptions:
pubchem: Salicyluric acid is an N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. It has a role as a uremic toxin and a human xenobiotic metabolite. It is a secondary carboxamide and a N-acylglycine. It is functionally related to a glycine. It is a conjugate acid of a salicylurate.
chebi: An <em>N</em>-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.
chembl: SALICYLURIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Salicyluric acid is the glycine conjugate of salicylic acid and is the primary form in which salicylates are excreted from the body, via the kidneys. The pathway is very similar to the pathway of benzoic acid excretion as hippuric acid.