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Substance Name: 1,4-Naphthalenedione, 2-(4-(1,1-dimethylpropyl)cyclohexyl)-3-hydroxy-
RN: 92448-79-8
InChIKey: MXRFJVFBVXHALN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-O3

Molecular Weight

  • 326.4334
 
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Names and Synonyms

Synonyms

  • 2-(4-(1,1-Dimethylpropyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione
  • 2-Hydroxy-3-(4'-t-pentylcyclohexyl)-1,4-naphthoquinone
  • BRN 5566005
  • BW568C

Systematic Name

  • 1,4-Naphthalenedione, 2-(4-(1,1-dimethylpropyl)cyclohexyl)-3-hydroxy-

Registry Numbers

CAS Registry Number

  • 92448-79-8

System Generated Number

  • 0092448798

Structure Descriptors

InChI

1S/C21H26O3/c1-4-21(2,3)14-11-9-13(10-12-14)17-18(22)15-7-5-6-8-16(15)19(23)20(17)24/h5-8,13-14,24H,4,9-12H2,1-3H3

InChIKey

MXRFJVFBVXHALN-UHFFFAOYSA-N

Smiles

CCC(C)(C)C1CCC(CC1)C2=C(C(=O)c3ccccc3C2=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4485117,