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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-carboxylic acid, 3-(3,4,5-trimethoxyphenyl)-
RN: 126598-33-2
InChIKey: CZOICBKNQOXQDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-N4-O5-S

Molecular Weight

  • 350.3536
 
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Names and Synonyms

Synonym

  • 3-(3,4,5-Trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 126598-33-2

System Generated Number

  • 0126598332

Structure Descriptors

InChI

1S/C14H14N4O5S/c1-21-9-4-7(5-10(22-2)11(9)23-3)12-15-16-14-18(12)17-8(6-24-14)13(19)20/h4-5H,6H2,1-3H3,(H,19,20)

InChIKey

CZOICBKNQOXQDJ-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)c2nnc3n2N=C(CS3)C(=O)O

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.