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Substance Name: 3,4-Dimethoxyphenyl isopropyl ketone
RN: 14046-55-0
UNII: C5161AF8BX
InChIKey: FGVRUUHJVIWSEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-O3

Molecular Weight

  • 208.255
 
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Names and Synonyms

Name of Substance

  • 3,4-Dimethoxyphenyl isopropyl ketone

Synonyms

  • 3',4'-Dimethoxyisobutyrophenone
  • 4-08-00-01869 (Beilstein Handbook Reference)
  • BRN 3263789
  • Isobutyrophenone, 3',4'-dimethoxy-
  • NSC 63844
  • Propiophenone, 3',4'-dimethoxy-2-methyl- (6CI)
  • UNII-C5161AF8BX

Systematic Names

  • 1-Propanone, 1-(3,4-dimethoxyphenyl)-2-methyl- (9CI)
  • Isobutyrophenone, 3',4'-dimethoxy-

Registry Numbers

CAS Registry Number

  • 14046-55-0

FDA UNII

  • C5161AF8BX

System Generated Number

  • 0014046550

Structure Descriptors

InChI

1S/C12H16O3/c1-8(2)12(13)9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3

InChIKey

FGVRUUHJVIWSEN-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)cc1)OC)C(C(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964.