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Substance Name: 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-
RN: 159929-74-5
InChIKey: XZPSUOCJHQGSEJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H13-N5-O3-S

Molecular Weight

  • 391.4097
 
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Names and Synonyms

  • 2H-1-Benzopyran-2-one, 3-(6-((4-methoxyphenyl)amino)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazol-3-yl)-

Registry Numbers

CAS Registry Number

  • 159929-74-5

System Generated Number

  • 0159929745

Structure Descriptors

InChI

1S/C19H13N5O3S/c1-26-13-8-6-12(7-9-13)20-18-23-24-16(21-22-19(24)28-18)14-10-11-4-2-3-5-15(11)27-17(14)25/h2-10H,1H3,(H,20,23)

InChIKey

XZPSUOCJHQGSEJ-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)Nc2nn3c(nnc3s2)c4cc5ccccc5oc4=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 29, Pg. 713, 1994.