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Substance Name: Acetic acid, ((5-(2-(1H-benzimidazol-2-yl)ethyl)-4-(p-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-, ethyl ester
RN: 38911-92-1
InChIKey: VSPKPLBTTMXWDN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N5-O3-S

Molecular Weight

  • 437.522
 
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Names and Synonyms

Synonyms

  • 5-26-19-00024 (Beilstein Handbook Reference)
  • BRN 0948413

Systematic Name

  • Acetic acid, ((5-(2-(1H-benzimidazol-2-yl)ethyl)-4-(p-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 38911-92-1

System Generated Number

  • 0038911921

Structure Descriptors

InChI

1S/C22H23N5O3S/c1-3-30-21(28)14-31-22-26-25-20(27(22)15-8-10-16(29-2)11-9-15)13-12-19-23-17-6-4-5-7-18(17)24-19/h4-11H,3,12-14H2,1-2H3,(H,23,24)

InChIKey

VSPKPLBTTMXWDN-UHFFFAOYSA-N

Smiles

n1(c(nnc1SCC(OCC)=O)CCc1[nH]c2ccccc2n1)c1ccc(OC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ANTICONVULSANT
Journal of Medicinal Chemistry. Vol. 15, Pg. 999, 1972.