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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(3,5-dimethoxy-4-ethoxyphenyl)-
RN: 126598-31-0
InChIKey: OJSYMJJNWGDHGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N4-O5-S

Molecular Weight

  • 378.4072
 
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Names and Synonyms

Synonym

  • 3-(3,5-Dimethoxy-4-ethoxyphenyl)-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-(3,5-dimethoxy-4-ethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 126598-31-0

System Generated Number

  • 0126598310

Structure Descriptors

InChI

1S/C16H18N4O5S/c1-4-25-14-11(23-2)5-9(6-12(14)24-3)15-17-18-16-20(15)19-10(8-26-16)7-13(21)22/h5-6H,4,7-8H2,1-3H3,(H,21,22)

InChIKey

OJSYMJJNWGDHGK-UHFFFAOYSA-N

Smiles

CCOc1c(cc(cc1OC)c2nnc3n2N=C(CS3)CC(=O)O)OC

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.