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Substance Name: Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester
RN: 137731-27-2
InChIKey: GWQWBGWPDSIXFL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-N4-O2-S

Molecular Weight

  • 302.3566
 
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Names and Synonyms

Synonyms

  • 5-(((Ethoxycarbonyl)methyl)thio)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine
  • BRN 4818747

Systematic Name

  • Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 137731-27-2

System Generated Number

  • 0137731272

Structure Descriptors

InChI

1S/C14H14N4O2S/c1-2-20-14(19)8-21-13-7-12-17-15-9-18(12)11-6-4-3-5-10(11)16-13/h3-6,9H,2,7-8H2,1H3

InChIKey

GWQWBGWPDSIXFL-UHFFFAOYSA-N

Smiles

CCOC(=O)CSC1=Nc2ccccc2-n3cnnc3C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 489, 1991.