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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-
RN: 126598-26-3
InChIKey: RAXSOHJZTFDYRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H13-Br-N4-O4-S

Molecular Weight

  • 473.3057
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 126598-26-3

System Generated Number

  • 0126598263

Structure Descriptors

InChI

1S/C19H13BrN4O4S/c20-12-4-1-10(2-5-12)17-15(8-16(25)26)29-19-22-21-18(24(19)23-17)11-3-6-13-14(7-11)28-9-27-13/h1-7,15H,8-9H2,(H,25,26)

InChIKey

RAXSOHJZTFDYRV-UHFFFAOYSA-N

Smiles

c1cc(ccc1C2=Nn3c(nnc3SC2CC(=O)O)c4ccc5c(c4)OCO5)Br

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.