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Substance Name: Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-
RN: 110767-59-4
InChIKey: TYCGEFVJGGTSAQ-UHFFFAOYSA-N

Molecular Formula

  • C11-H10-N4-O4-S

Molecular Weight

  • 294.29
 
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Names and Synonyms

Synonyms

  • ((4-Amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
  • 3-(3,4-Diossimetilenefenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo
  • 3-(3,4-Diossimetilenefenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo [Italian]
  • BRN 5354267

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110767-59-4

System Generated Number

  • 0110767594

Structure Descriptors

InChI

1S/C11H10N4O4S/c12-15-10(13-14-11(15)20-4-9(16)17)6-1-2-7-8(3-6)19-5-18-7/h1-3H,4-5,12H2,(H,16,17)

InChIKey

TYCGEFVJGGTSAQ-UHFFFAOYSA-N

Smiles

c1(c2n(c(SCC(O)=O)nn2)N)cc2c(OCO2)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmaco, Edizione Scientifica. Vol. 42, Pg. 525, 1987.
mammal (species unspecified) LD50 oral 750mg/kg (750mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmaco, Edizione Scientifica. Vol. 42, Pg. 525, 1987.