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Substance Name: Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-
RN: 119228-52-3
InChIKey: TWYLBSOLLHFFTA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-N5-O6-S

Molecular Weight

  • 415.3847
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119228-52-3

System Generated Number

  • 0119228523

Structure Descriptors

InChI

1S/C17H13N5O6S/c1-10-4-2-3-5-14(10)20-16(18-19-17(20)29-9-15(23)24)11-6-12(21(25)26)8-13(7-11)22(27)28/h2-8H,9H2,1H3,(H,23,24)

InChIKey

TWYLBSOLLHFFTA-UHFFFAOYSA-N

Smiles

Cc1ccccc1n2c(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.