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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-phenyl-3-(3,4,5-trimethoxyphenyl)-
RN: 126598-10-5
InChIKey: YPYNJBINLFVZNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-N4-O5-S

Molecular Weight

  • 440.478
 
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Names and Synonyms

Synonym

  • 6-Phenyl-3-(3,4,5-trimethoxyphenyl)-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, 6-phenyl-3-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 126598-10-5

System Generated Number

  • 0126598105

Structure Descriptors

InChI

1S/C21H20N4O5S/c1-28-14-9-13(10-15(29-2)19(14)30-3)20-22-23-21-25(20)24-18(12-7-5-4-6-8-12)16(31-21)11-17(26)27/h4-10,16H,11H2,1-3H3,(H,26,27)

InChIKey

YPYNJBINLFVZNA-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)c2nnc3n2N=C(C(S3)CC(=O)O)c4ccccc4

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.