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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(3,5-dimethoxyphenyl-4-ethoxyphenyl)-6-(4-fluorophenyl)-
RN: 126598-18-3
InChIKey: UOASRQZPZAQSRU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-F-N4-O5-S

Molecular Weight

  • 472.4949
 
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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-dimethoxyphenyl-4-ethoxyphenyl)-6-(4-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 126598-18-3

System Generated Number

  • 0126598183

Structure Descriptors

InChI

1S/C22H21FN4O5S/c1-4-32-20-15(30-2)9-13(10-16(20)31-3)21-24-25-22-27(21)26-19(17(33-22)11-18(28)29)12-5-7-14(23)8-6-12/h5-10,17H,4,11H2,1-3H3,(H,28,29)

InChIKey

UOASRQZPZAQSRU-UHFFFAOYSA-N

Smiles

CCOc1c(cc(cc1OC)c2nnc3n2N=C(C(S3)CC(=O)O)c4ccc(cc4)F)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.