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Substance Name: Butanedioic acid, cyano-, dimethyl ester (9CI)
RN: 6283-71-2
InChIKey: PJAMMJHRVPQDMS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H9-N-O4

Molecular Weight

  • 171.151
 
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Names and Synonyms

Synonyms

  • 0-02-00-00813 (Beilstein Handbook Reference)
  • AI3-11155
  • BRN 1781500
  • Dimethyl cyanosuccinate

Systematic Names

  • Butanedioic acid, cyano-, dimethyl ester (9CI)
  • Succinic acid, cyano-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 6283-71-2

System Generated Number

  • 0006283712

Structure Descriptors

InChI

1S/C7H9NO4/c1-11-6(9)3-5(4-8)7(10)12-2/h5H,3H2,1-2H3

InChIKey

PJAMMJHRVPQDMS-UHFFFAOYSA-N

Smiles

C([C@@H](C#N)CC(=O)OC)(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 322, 1952.