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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(3,5-dimethoxy-4-ethoxyphenyl)-6-phenyl-
RN: 126598-17-2
InChIKey: CDPMPEHVOHYEDH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-N4-O5-S

Molecular Weight

  • 454.5048
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 126598-17-2

System Generated Number

  • 0126598172

Structure Descriptors

InChI

1S/C22H22N4O5S/c1-4-31-20-15(29-2)10-14(11-16(20)30-3)21-23-24-22-26(21)25-19(13-8-6-5-7-9-13)17(32-22)12-18(27)28/h5-11,17H,4,12H2,1-3H3,(H,27,28)

InChIKey

CDPMPEHVOHYEDH-UHFFFAOYSA-N

Smiles

CCOc1c(cc(cc1OC)c2nnc3n2N=C(C(S3)CC(=O)O)c4ccccc4)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.