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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-
RN: 126598-32-1
InChIKey: IIXASGZRRMUWMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-N4-O4-S

Molecular Weight

  • 318.312
 
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Names and Synonyms

Synonym

  • 3-(1,3-Benzodioxol-5-yl)-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid

Systematic Name

  • 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-

Registry Numbers

CAS Registry Number

  • 126598-32-1

System Generated Number

  • 0126598321

Structure Descriptors

InChI

1S/C13H10N4O4S/c18-11(19)4-8-5-22-13-15-14-12(17(13)16-8)7-1-2-9-10(3-7)21-6-20-9/h1-3H,4-6H2,(H,18,19)

InChIKey

IIXASGZRRMUWMU-UHFFFAOYSA-N

Smiles

c1cc2c(cc1c3nnc4n3N=C(CS4)CC(=O)O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Farmaco. Vol. 44, Pg. 933, 1989.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco. Vol. 44, Pg. 933, 1989.