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Substance Name: Acetic acid, ((5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl-1H-1,3,4-triazol-2-yl)thio)-
RN: 116989-76-5
InChIKey: SITIYSUYYINOIZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H18-N6-O2-S

Molecular Weight

  • 466.5232
 
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Names and Synonyms

Synonym

  • N(sup 6)-((4-Phenyl-5-mercaptoacetic acid-1,2,4-triazol-3-yl)methylene)indophenazine

Systematic Name

  • Acetic acid, ((5-((6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl-1H-1,3,4-triazol-2-yl)thio)-

Registry Numbers

CAS Registry Number

  • 116989-76-5

System Generated Number

  • 0116989765

Structure Descriptors

InChI

1S/C25H18N6O2S/c32-22(33)15-34-25-29-28-21(31(25)16-8-2-1-3-9-16)14-30-20-13-7-4-10-17(20)23-24(30)27-19-12-6-5-11-18(19)26-23/h1-13H,14-15H2,(H,32,33)

InChIKey

SITIYSUYYINOIZ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n2c(nnc2SCC(=O)O)Cn3c4ccccc4c5c3nc6ccccc6n5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Acta Pharmaceutica Jugoslavica. Vol. 38, Pg. 11, 1988.