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Substance Name: 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
RN: 110767-58-3
UNII: 2HU30J169F
InChIKey: IBYJOXYTJSULBV-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-N4-O5-S

Molecular Weight

  • 340.3584
 
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Names and Synonyms

Name of Substance

  • 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid

Synonyms

  • ((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
  • 3-(3,4,5-Trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo
  • 3-(3,4,5-Trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo [Italian]
  • BRN 5358360
  • UNII-2HU30J169F

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110767-58-3

FDA UNII

  • 2HU30J169F

System Generated Number

  • 0110767583

Structure Descriptors

InChI

1S/C13H16N4O5S/c1-20-8-4-7(5-9(21-2)11(8)22-3)12-15-16-13(17(12)14)23-6-10(18)19/h4-5H,6,14H2,1-3H3,(H,18,19)

InChIKey

IBYJOXYTJSULBV-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)c2nnc(n2N)SCC(=O)O

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.