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Substance Name: 4-Methyltropolone
RN: 583-80-2
InChIKey: OTXSBWFUHZIFLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-O2

Molecular Weight

  • 136.149
 
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Names and Synonyms

Results Name

  • 4-Methyltropolone

Synonyms

  • 2-Hydroxy-4-methyl-2,4,6-cycloheptatrien-1-one
  • 4-08-00-00314 (Beilstein Handbook Reference)
  • 4-Methyl-tropolone
  • BRN 2040642

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-methyl-

Registry Numbers

CAS Registry Number

  • 583-80-2

System Generated Number

  • 0000583802

Structure Descriptors

InChI

1S/C8H8O2/c1-6-3-2-4-7(9)8(10)5-6/h2-5H,1H3,(H,9,10)

InChIKey

OTXSBWFUHZIFLR-UHFFFAOYSA-N

Smiles

c1(c(cccc(c1)C)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 535mg/kg (535mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 755, 1963.
mouse LD50 intravenous 51mg/kg (51mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 918, 1957.
mouse LD50 subcutaneous 189mg/kg (189mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 918, 1957.