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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-phenyl-
RN: 126598-23-0
InChIKey: LCONGYWDXPDARU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H14-N4-O4-S

Molecular Weight

  • 394.4096
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 126598-23-0

System Generated Number

  • 0126598230

Structure Descriptors

InChI

1S/C19H14N4O4S/c24-16(25)9-15-17(11-4-2-1-3-5-11)22-23-18(20-21-19(23)28-15)12-6-7-13-14(8-12)27-10-26-13/h1-8,15H,9-10H2,(H,24,25)

InChIKey

LCONGYWDXPDARU-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2=Nn3c(nnc3SC2CC(=O)O)c4ccc5c(c4)OCO5

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.