Compound: amlexanox
SMILES: O=c1c2c(oc3c1cc(C(C)C)cc3)nc(N)c(c2)C(=O)O
InChIKey: SGRYPYWGNKJSDL-UHFFFAOYSA-N
Synonyms: amlexanox, 68302-57-8, Amoxanox, Aphthasol, Elics, AA-673, Amlexanoxo, Amlexanoxum, aphtheal, CHX 3673, CHX-3673, AA 673, 2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, 2-Amino-7-isopropyl-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carboxylic acid, BRL1C2459K, 2-Amino-7-(1-methylethyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, CHEBI:31205, 5H-(1)Benzopyrano(2,3-b)pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-, 2-Amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, 2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno(2,3-b)pyridine-3-carboxylic acid, 2-Amino-7-(1-methylethyl)-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carboxylic acid, 2-amino-7-isopropyl-5-oxo-5H-(1)benzopyrano(2,3b)pyridine-3-carboxylic acid, RefChem:54168, A01AD07, R03DX01, 2-Amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Amlenanox, Amlexanoxum [Latin], Amlexanoxo [Spanish], 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid, 2-Amino-7-isopropyl-5-oxo-5H-chromeno-[2,3-b]pyridine-3-carboxylic acid, MFCD00864790, AA673;Amoxanox;CHX3673, DTXSID2022595, 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, NCGC00167472-01, Amlexanox [USAN:INN:JAN], DTXCID902595, Aptheal, Apthera, OraRinse, OraDisc A, Aphthasol (TN), ANW, SMR000466352, CAS-68302-57-8, CCRIS 2686, Solfa (TN), BRN 0556384, UNII-BRL1C2459K, Amlexanox (JAN/USAN/INN), 4wbo, Amlexanox [USAN:INN:BAN:JAN], Amlexanox (Standard), AMLEXANOX [INN], AMLEXANOX [JAN], AMLEXANOX [MI], AMLEXANOX [USAN], AA-673(Amlexanox)?, AMLEXANOX [VANDF], AMLEXANOX [MART.], AMLEXANOX [WHO-DD], CHEMBL1096, SCHEMBL29642, MLS000759466, MLS001424059, MLS006010129, BIDD:GT0709, Amlexanox - Bio-X trade mark, US10214536, Amlexanox, GTPL7113, orb1307931, AMLEXANOX [ORANGE BOOK], Amlexanox, >=98% (HPLC), SCHEMBL29381739, SCHEMBL29441547, HY-B0713R, WLZ3532, BDBM357857, GLXC-07942, HMS2051F13, HMS2235M08, HMS3393F13, HMS3715B14, HMS5081J14, HY-B0713, Tox21_112476, 2-amino-7-isopropyl-5-oxo-chromeno[2,3-b]pyridine-3-carboxylic acid, 2-Amino-7-isopropyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic Acid, EBC-26513, MSK163085, s3648, 2-Amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylicacid, AKOS015900498, Tox21_112476_1, AC-1192, CCG-100953, DB01025, DS-1396, FA17873, NC00203, NCGC00167472-02, NCGC00167472-03, NCGC00167472-14, BA164161, SY053135, A2401, NS00068066, D01828, AB00639947-06, AB00639947_08, EN300-7361924, F093426, L001037, Q695611, BRD-K29530284-001-06-2, BRD-K29530284-001-07-0, Amlexanox, United States Pharmacopeia (USP) Reference Standard, 2-Amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, 2-Amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b] pyridine-3-carboxylic acid, 2-Amino-7-(1-methylethyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic Acid Amoxanox AA-673 CHX-3673 Aphthasol Elics Solfa, 5H-(1)BENZOPYRANO(2,3-.BETA.)PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-7-(1-METHYLETHYL)-5-OXO-
Theoretical properties:
molecular_formula: C16H14N2O4
molecular_weight: 298.29 g/mol
exact_mass: 298.09535693 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 2
heavy_atom_count: 22
topological_polar_surface_area: 103 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 1.46e-01 g/L
Descriptions:
pubchem: Amlexanox is a pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. It has a role as a non-steroidal anti-inflammatory drug, an anti-ulcer drug and an anti-allergic agent. It is a monocarboxylic acid and a pyridochromene.
chebi: A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.
chembl: AMLEXANOX is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Amlexanox (trade name Aphthasol) is an anti-inflammatory antiallergic immunomodulator used to treat recurrent aphthous ulcers (canker sores), and (in Japan) several inflammatory conditions. This drug has been discontinued in the U.S.