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Substance Name: Tropolone
RN: 533-75-5
UNII: 7L6DL16P1T
InChIKey: MDYOLVRUBBJPFM-UHFFFAOYSA-N

Note

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

Molecular Formula

  • C7-H6-O2

Molecular Weight

  • 122.122
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Tropolone

MeSH Heading

  • Tropolone

Synonyms

  • 2-Hydroxytropone
  • 4-08-00-00159 (Beilstein Handbook Reference)
  • BRN 1904978
  • CCRIS 6609
  • EINECS 208-577-2
  • NSC 89303
  • Purpurocatechol
  • Tropolone
  • UNII-7L6DL16P1T

Systematic Names

  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-
  • 2-Hydroxycyclohepta-2,4,6-trienone
  • Tropolone

Registry Numbers

CAS Registry Number

  • 533-75-5

FDA UNII

  • 7L6DL16P1T

System Generated Number

  • 0000533755

Structure Descriptors

InChI

1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)

InChIKey

MDYOLVRUBBJPFM-UHFFFAOYSA-N

Smiles

c1(c(ccccc1)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 212mg/kg (212mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: REGIDITY

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology. Vol. 14, Pg. 217, 1979.
mouse LD50 intravenous 106mg/kg (106mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 19, 1972.
mouse LD50 subcutaneous 233mg/kg (233mg/kg) BEHAVIORAL: ANALGESIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Yakugaku Zasshi. Journal of Pharmacy. Vol. 91, Pg. 550, 1971.
rat LD50 intraperitoneal 190mg/kg (190mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology. Vol. 14, Pg. 217, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 50.8 deg C   EXP
log P (octanol-water) 0.53 (none)   EXP
Water Solubility 4.09E+04 mg/L 25 EXP
Vapor Pressure 6.79E-04 mm Hg 25 EST
Henry's Law Constant 1.08E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.82E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.