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Substance Name: Musk ketone
RN: 81-14-1
UNII: 483V3E1L6J
InChIKey: WXCMHFPAUCOJIG-UHFFFAOYSA-N

Note

  • Increases activity of glutathione S-transferase and thus may prove to be useful cancer chemoprotectant.

Molecular Formula

  • C14-H18-N2-O5

Molecular Weight

  • 294.305
 

Classification Code

  • Antineoplastic Agents
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Names and Synonyms

Name of Substance

  • Musk ketone

Synonyms

  • 1-(4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone
  • 2,6-Dinitro-3,5-dimethyl-4-acetyl-tert-butylbenzene
  • 2-Acetyl-5-tert-butyl-4,6-dinitroxylene
  • 3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone
  • 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
  • 4-07-00-00808 (Beilstein Handbook Reference)
  • 4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone
  • Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-
  • AI3-02440
  • BRN 2062638
  • CCRIS 4677
  • EINECS 201-328-9
  • HSDB 7694
  • Musk ketone
  • NSC 15339
  • UNII-483V3E1L6J

Systematic Names

  • 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
  • Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- (8CI)
  • Ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-
  • Musk ketone

Superlist Name

  • Musk ketone

Registry Numbers

CAS Registry Number

  • 81-14-1

FDA UNII

  • 483V3E1L6J

System Generated Number

  • 0000081141

Structure Descriptors

InChI

1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3

InChIKey

WXCMHFPAUCOJIG-UHFFFAOYSA-N

Smiles

c1(c(c(c(C(C)=O)c(c1[N+](=O)[O-])C)C)[N+](=O)[O-])C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 10gm/kg (10000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 877, 1975.
rabbit LD50 unreported 10gm/kg (10000mg/kg)   Bulletin of Environmental Contamination and Toxicology. Vol. 26, Pg. 656, 1981.
rat LD50 oral > 10gm/kg (10000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 877, 1975.