chempirical

Pirenoxine

C16H8N2O5CAS 1043-21-6308.25 g/mol

Open in Covalent MOL file
OHOOHNOON
Carboxylic acidPhenol

Properties

Molecular formula
C16H8N2O5
Molar mass
308.25 g/mol
Exact mass
308.0433 Da
Melting point
247 °C (decomposes)
logP
2.24Crippen estimate
Polar surface area
113.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
1043-21-6
SMILES
O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1
InChIKey
OKPNYGAWTYOBFZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 5H-Pyrido[3,2-a]phenoxazine-3-carboxylic acid, 1-hydroxy-5-oxo-
  • 1-Hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
  • 1-Hydroxy-3-carboxy-5H-pyrido[3,2-a]phenoxazin-5-one
  • 1-Hydroxy-5H-pyrido[3,2-a]phenoxazin-5-one-3-carboxylic acid
  • Catalin
  • Catalin (pharmaceutical)
  • Clarvisan
  • HPPC
  • Catalin K
  • Kary-uni
  • Pyrphenoxone
  • Pirfenoxone
  • 1,5-Dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

Work with Pirenoxine

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

Pirenoxine sodium51410-30-172 % similar Xanthurenic acid59-00-742 % similar 5-Hydroxyflavone491-78-138 % similar 4-Oxo-4H-1-benzopyran-2-carboxylic acid4940-39-037 % similar Chrysin480-40-037 % similar 8-Hydroxyquinoline-2-carboxylic acid1571-30-835 % similar 4-Methoxy-2-quinolinecarboxylic acid15733-83-235 % similar 3′,4′-Dihydroxyflavone4143-64-035 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook