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Substance Name: Butanoic acid, 4-((1,7-dihydro-5-(4-methylphenyl)-7-phenyl(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)amino)-4-oxo-
RN: 171088-80-5
InChIKey: HXPLWFXSCNHFLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N5-O3

Molecular Weight

  • 403.4399
 
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Names and Synonyms

  • Butanoic acid, 4-((1,7-dihydro-5-(4-methylphenyl)-7-phenyl(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)amino)-4-oxo-

Registry Numbers

CAS Registry Number

  • 171088-80-5

System Generated Number

  • 0171088805

Structure Descriptors

InChI

1S/C22H21N5O3/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)27-22(23-17)25-21(26-27)24-19(28)11-12-20(29)30/h2-10,13,18H,11-12H2,1H3,(H,29,30)(H2,23,24,25,26,28)

InChIKey

HXPLWFXSCNHFLP-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C2=CC(N3NC(=NC3=N2)NC(=O)CCC(=O)O)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 825mg/kg (825mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 265, 1995.