Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetic acid, ((5-(2-(1H-benzimidazol-2-yl)ethyl)-4-(2-propenyl)-4H-1,2,4-triazol-3-yl)thio)-, ethyl ester
RN: 38911-94-3
InChIKey: XDHNUBLHWIMUKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N5-O2-S

Molecular Weight

  • 371.4629
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 5-26-19-00024 (Beilstein Handbook Reference)
  • BRN 0943803

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38911-94-3

System Generated Number

  • 0038911943

Structure Descriptors

InChI

1S/C18H21N5O2S/c1-3-11-23-16(21-22-18(23)26-12-17(24)25-4-2)10-9-15-19-13-7-5-6-8-14(13)20-15/h3,5-8H,1,4,9-12H2,2H3,(H,19,20)

InChIKey

XDHNUBLHWIMUKK-UHFFFAOYSA-N

Smiles

CCOC(=O)CSc1nnc(n1CC=C)CCc2[nH]c3ccccc3n2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

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