chempirical

Amlexanox

C16H14N2O4CAS 68302-57-8298.30 g/mol

Open in Covalent MOL file
ONNH2OOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C16H14N2O4
Molar mass
298.30 g/mol
Exact mass
298.0954 Da
Melting point
above 300 °C
logP
2.75Crippen estimate
Polar surface area
106.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
68302-57-8
SMILES
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIKey
SGRYPYWGNKJSDL-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)

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Names and synonyms

11 names
  • 5H-[1]Benzopyrano[2,3-b]pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-
  • 2-Amino-7-(1-methylethyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
  • AA 673
  • Amoxanox
  • Elics
  • CHX 3673
  • Solfa
  • Aphtheal
  • Aphthasol
  • 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-carboxylicacid

Work with Amlexanox

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Isopropylbenzoic acid536-66-335 % similar 3,5-Diisopropylsalicylic acid2215-21-633 % similar 2-Isopropylthioxanthone5495-84-133 % similar 2,4,6-Tris(1-methylethyl)benzoic acid49623-71-432 % similar 2-Aminonicotinic acid5345-47-131 % similar Nalidixic acid389-08-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate2449-05-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook