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Substance Name: 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-
RN: 69432-64-0
InChIKey: ZHEQVNREZDYECH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Synonyms

  • 3,4-Dimethoxy-2-hydroxy-2,4,6-cycloheptatrien-1-one
  • 3,4-Dimethoxytropolone
  • BRN 5334120
  • XK-104

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-

Registry Numbers

CAS Registry Number

  • 69432-64-0

System Generated Number

  • 0069432640

Structure Descriptors

InChI

1S/C9H10O4/c1-12-7-5-3-4-6(10)8(11)9(7)13-2/h3-5H,1-2H3,(H,10,11)

InChIKey

ZHEQVNREZDYECH-UHFFFAOYSA-N

Smiles

c1(c(cccc(c1O)=O)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 142mg/kg (142mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 80-104, 1980.