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Substance Name: 2,8-Dibenzylcyclooctanone
RN: 38104-15-3
InChIKey: QRZUPJILJVGUFF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-O

Molecular Weight

  • 306.446
 
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Names and Synonyms

Name of Substance

  • 2,8-Dibenzylcyclooctanone

Synonyms

  • 2,8-Bis(phenylmethyl)cyclooctanone
  • 2,8-Dibenzylcyclooctanone

Systematic Name

  • Cyclooctanone, 2,8-bis(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 38104-15-3

System Generated Number

  • 0038104153

Structure Descriptors

InChI

1S/C22H26O/c23-22-20(16-18-10-4-1-5-11-18)14-8-3-9-15-21(22)17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2

InChIKey

QRZUPJILJVGUFF-UHFFFAOYSA-N

Smiles

C1([C@@H](CCCCC[C@@H]1Cc1ccccc1)Cc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 770, 1973.
mouse LD oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 770, 1973.