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Substance Name: Benzonitrile, 3,4,5-trimethoxy-
RN: 1885-35-4
InChIKey: OSBQUSPVORCDCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N-O3

Molecular Weight

  • 193.201
 
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Names and Synonyms

Synonyms

  • 2,4,5-Trimethoxybenzonitrile
  • 3,4,5-Trimethoxybenzenecarbonitrile
  • 3,4,5-Trimethoxybenzonitrile
  • 4-10-00-02024 (Beilstein Handbook Reference)
  • BRN 0979686
  • EINECS 217-550-4
  • NSC 408924

Systematic Names

  • 3,4,5-Trimethoxybenzonitrile
  • Benzonitrile, 3,4,5-trimethoxy-

Registry Numbers

CAS Registry Number

  • 1885-35-4

System Generated Number

  • 0001885354

Structure Descriptors

InChI

1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3

InChIKey

OSBQUSPVORCDCU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986.