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Substance Name: Methyl-3-methoxy-4-hydroxystyryl ketone
RN: 1080-12-2
InChIKey: AFWKBSMFXWNGRE-ONEGZZNKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-O3

Molecular Weight

  • 192.213
 
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Names and Synonyms

Name of Substance

  • Methyl-3-methoxy-4-hydroxystyryl ketone

Synonyms

  • (O)-Dehydroparadol
  • (O)-Paradol, dehydro-
  • 2-08-00-00326 (Beilstein Handbook Reference)
  • 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-
  • 3-Methoxy-4-hydroxybenzalacetone
  • 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
  • 4-Hydroxy-3-methoxybenzylideneacetone
  • 4-Hydroxy-3-methoxystyryl methyl ketone
  • AI3-01934
  • BRN 2049660
  • Dehydro(O)-paradol
  • Dehydrozingerone
  • EINECS 214-096-9
  • FEMA No. 3738
  • Feruloylmethane
  • Methyl-3-methoxy-4-hydroxy styryl ketone
  • MHSK
  • NSC 26613
  • NSC 4019
  • NSC 44708
  • NSC 45411
  • NSC 5316
  • Vanillalacetone
  • Vanillidene acetone
  • Vanillylidene acetone
  • Vanylidenacetone

Systematic Names

  • 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-
  • 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one

Superlist Name

  • Vanillylidene acetone

Registry Numbers

CAS Registry Number

  • 1080-12-2

System Generated Number

  • 0001080122

Structure Descriptors

InChI

1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+

InChIKey

AFWKBSMFXWNGRE-ONEGZZNKSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 610mg/kg (610mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 708, 1987.
mouse LDLo oral > 2gm/kg (2000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 708, 1987.
rat LD oral > 1gm/kg (1000mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 43, Pg. 226, 1981.