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Substance Name: 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-
RN: 49562-04-1
InChIKey: XJKVYEGXTAZKEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O4

Molecular Weight

  • 236.265
 
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Names and Synonyms

Synonyms

  • 2,3-Dimethoxy-4-hydroxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one
  • 2,3-Dimethoxy-4-hydroxy-6-oxobenzocycloheptane
  • 5,7,8,9-Tetrahydro-2,3-dimethoxy-4-hydroxy-6H-benzocyclohepten-6-one
  • BRN 2056086

Systematic Name

  • 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 49562-04-1

System Generated Number

  • 0049562041

Structure Descriptors

InChI

1S/C13H16O4/c1-16-11-6-8-4-3-5-9(14)7-10(8)12(15)13(11)17-2/h6,15H,3-5,7H2,1-2H3

InChIKey

XJKVYEGXTAZKEQ-UHFFFAOYSA-N

Smiles

c12c(CCCC(C1)=O)cc(c(c2O)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1394, 1973.