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Substance Name: 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-(hydroxymethylene)-
RN: 40685-11-8
InChIKey: QAQKFPLTAXDACH-NTMALXAHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O2

Molecular Weight

  • 188.2248
 
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Names and Synonyms

Synonyms

  • 2-Hydroxymethylenebenzosuber-1-one
  • 6,7,8,9-Tetrahydro-6-(hydroxymethylene)-5H-benzocyclohepten-5-one
  • BRN 2049683

Systematic Name

  • 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-(hydroxymethylene)-

Registry Numbers

CAS Registry Number

  • 40685-11-8

System Generated Number

  • 0040685118

Structure Descriptors

InChI

1S/C12H12O2/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-2,4,7-8,13H,3,5-6H2/b10-8-

InChIKey

QAQKFPLTAXDACH-NTMALXAHSA-N

Smiles

c1ccc2c(c1)CCC/C(=C/O)/C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 23, Pg. 753, 1984.