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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-carboxylic acid, 3-(1,3-benzodioxol-5-yl)-
RN: 126598-35-4
InChIKey: HSGWEACLBOMRLA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H8-N4-O4-S

Molecular Weight

  • 304.2852
 
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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-carboxylic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 126598-35-4

System Generated Number

  • 0126598354

Structure Descriptors

InChI

1S/C12H8N4O4S/c17-11(18)7-4-21-12-14-13-10(16(12)15-7)6-1-2-8-9(3-6)20-5-19-8/h1-3H,4-5H2,(H,17,18)

InChIKey

HSGWEACLBOMRLA-UHFFFAOYSA-N

Smiles

c1cc2c(cc1c3nnc4n3N=C(CS4)C(=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.