Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-, sodium salt
RN: 42887-08-1
InChIKey: TVJTZDVUEBDLQP-UHFFFAOYSA-M

Note

  • A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIBIOTICS, ANTIFUNGAL).

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H5-O2.Na

Molecular Weight

  • 144.105
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-Hydroxy-2,4,6-cycloheptatrien-1-one sodium salt
  • Sodium tropolonate
  • Tropolone, sodium deriv. (6CI)

Systematic Names

  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-, sodium salt
  • Sodium, ((7-oxo-1,3,5-cycloheptatrien-1-yl)oxy)- (7CI)

Registry Numbers

CAS Registry Number

  • 42887-08-1

System Generated Number

  • 0042887081

Molecular Formulas

Molecular Formula

  • C7-H5-O2.Na

Molecular Formula Fragments

  • C7-H5-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C7H6O2.Na/c8-6-4-2-1-3-5-7(6)9;/h1-5H,(H,8,9);/q;+1/p-1

InChIKey

TVJTZDVUEBDLQP-UHFFFAOYSA-M

Smiles

[Na+].c1(c(ccccc1)[O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 385mg/kg (385mg/kg)   German Offenlegungsschrift Patent Document. Vol. #3149608,