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Substance Name: Propanedioic acid, (5-nitro-3-thienyl)-
RN: 104554-66-7
InChIKey: JDLQLJDEOAKSCD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H5-N-O6-S

Molecular Weight

  • 231.1835
 
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Names and Synonyms

Synonyms

  • (5-Nitro-3-thienyl)propanedioic acid
  • 5-Nitro-3-thiophemalonic acid
  • NTMA

Systematic Name

  • Propanedioic acid, (5-nitro-3-thienyl)-

Registry Numbers

CAS Registry Number

  • 104554-66-7

System Generated Number

  • 0104554667

Structure Descriptors

InChI

1S/C7H5NO6S/c9-6(10)5(7(11)12)3-1-4(8(13)14)15-2-3/h1-2,5H,(H,9,10)(H,11,12)

InChIKey

JDLQLJDEOAKSCD-UHFFFAOYSA-N

Smiles

C(C(C(=O)O)c1csc(c1)[N+](=O)[O-])(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 200mg/kg (200mg/kg)   European Patent Application. Vol. #0186252,
mouse LD50 oral 1200mg/kg (1200mg/kg)   European Patent Application. Vol. #0186252,