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Substance Name: Butanoic acid, 4-((7-(4-chlorophenyl)-4,7-dihydro-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)amino)-4-oxo-
RN: 171668-00-1
InChIKey: SPGMFGKWYCTDTN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-Cl-N5-O3

Molecular Weight

  • 361.7874
 
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Names and Synonyms

Synonym

  • N-(5-Methyl-7-(4-chlorophenyl)-4,7-dihydro-as-triazolo(1,5-a)pyrimidin-2-yl)succinaminic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 171668-00-1

System Generated Number

  • 0171668001

Structure Descriptors

InChI

1S/C16H16ClN5O3/c1-9-8-12(10-2-4-11(17)5-3-10)22-16(18-9)20-15(21-22)19-13(23)6-7-14(24)25/h2-5,8,12H,6-7H2,1H3,(H,24,25)(H2,18,19,20,21,23)

InChIKey

SPGMFGKWYCTDTN-UHFFFAOYSA-N

Smiles

CC1=CC(N2NC(=NC2=N1)NC(=O)CCC(=O)O)c3ccc(Cl)cc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1770mg/kg (1770mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 154, 1994.