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Substance Name: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-
RN: 126598-11-6
InChIKey: MAIUTGMKLUABFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-F-N4-O5-S

Molecular Weight

  • 458.4681
 
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Names and Synonyms

  • 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 126598-11-6

System Generated Number

  • 0126598116

Structure Descriptors

InChI

1S/C21H19FN4O5S/c1-29-14-8-12(9-15(30-2)19(14)31-3)20-23-24-21-26(20)25-18(16(32-21)10-17(27)28)11-4-6-13(22)7-5-11/h4-9,16H,10H2,1-3H3,(H,27,28)

InChIKey

MAIUTGMKLUABFN-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)c2nnc3n2N=C(C(S3)CC(=O)O)c4ccc(cc4)F

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.