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Substance Name: Acetophenone, 2-nitrilo-3',4',5'-trimethoxy-
RN: 5955-75-9
InChIKey: NHZLVOHMHLFZLS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H11-N-O4

Molecular Weight

  • 221.211
 
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Names and Synonyms

Synonyms

  • 2-Nitrilo-3',4',5'-trimethoxyacetophenone
  • 4-10-00-04018 (Beilstein Handbook Reference)
  • Acetophenone, 2-nitrilo-3',4',5'-trimethoxy-
  • AI3-33431
  • BRN 2699129
  • NSC 58984

Systematic Names

  • Acetophenone, 2-nitrilo-3',4',5'-trimethoxy-
  • Benzeneacetonitrile, 3,4,5-trimethoxy-alpha-oxo- (9CI)

Registry Numbers

CAS Registry Number

  • 5955-75-9

System Generated Number

  • 0005955759

Structure Descriptors

InChI

1S/C11H11NO4/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5H,1-3H3

InChIKey

NHZLVOHMHLFZLS-UHFFFAOYSA-N

Smiles

c1(c(cc(C(C#N)=O)cc1OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964.