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Substance Name: Acetic acid, ((5-(3,5-dinitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-
RN: 119228-54-5
InChIKey: KOQNQTRNJACYIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-N5-O6-S

Molecular Weight

  • 401.3579
 
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Names and Synonyms

Synonym

  • ((5-(3,5-Dinitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid

Systematic Name

  • Acetic acid, ((5-(3,5-dinitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-

Registry Numbers

CAS Registry Number

  • 119228-54-5

System Generated Number

  • 0119228545

Structure Descriptors

InChI

1S/C16H11N5O6S/c22-14(23)9-28-16-18-17-15(19(16)11-4-2-1-3-5-11)10-6-12(20(24)25)8-13(7-10)21(26)27/h1-8H,9H2,(H,22,23)

InChIKey

KOQNQTRNJACYIR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n2c(nnc2SCC(=O)O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 40, Pg. 313, 1988.
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Polish Journal of Pharmacology and Pharmacy. Vol. 40, Pg. 313, 1988.