Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110368
Identification
Name: phenazine-1-carboxylate
Description:A monocarboxylic acid anion that is the conjugate base of phenazine-1-carboxylic acid; major species at pH 7.3.
Structure
Thumb
Synonyms:
  • phenazine-1-carboxylic acid
  • 1-phenazinecarboxylic acid
Chemical Formula: C13H7N2O2
Average Molecular Weight: 224.0585775114
Monoisotopic Molecular Weight: 224.0585775114
InChI Key: JGCSKOVQDXEQHI-UHFFFAOYSA-M
InChI: InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)/p-1
CAS number: Not Available
IUPAC Name:phenazine-1-carboxylate
Traditional IUPAC Name: Not Available
SMILES:C(C1(=CC=CC2(C1=NC3(C=CC=CC(N=2)=3))))(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Diazanaphthalenes
Sub ClassBenzodiazines
Direct Parent Phenazines and derivatives
Alternative Parents
Substituents
  • Phenazine
  • Pyrazine
  • Benzenoid
  • Heteroaromatic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • monocarboxylic acid anion (CHEBI:62248)
  • an antibiotic (CPD-9522)
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight223.211 g/molPubChem
XLogP3-AA2.8 PubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count4 PubChem
Rotatable Bond Count0 PubChem
Exact Mass223.051 g/molPubChem
Monoisotopic Mass223.051 g/molPubChem
Topological Polar Surface Area65.9 A^2PubChem
Heavy Atom Count17 PubChem
Formal Charge-1 PubChem
Complexity302 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI62248
ChemSpider5446062
PubChem7097402