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Substance Name: 3(4H)-Quinazolinepropanoic acid, 4-oxo-2-phenyl-, compd. with piperazine (2:1)
RN: 70203-79-1
InChIKey: PHPRFZIYXBSTDQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H28-N4-O6.C4-H10-N2

Molecular Weight

  • 674.7542
 
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Names and Synonyms

Synonyms

  • 4-Oxo-2-phenyl-3(4H)-quinazolinepropanoic acid compd. with piperazine (2:1)
  • Piperazine, bis(4-oxo-2-phenyl-3(4H)-quinazolinepropanoate)

Systematic Name

  • 3(4H)-Quinazolinepropanoic acid, 4-oxo-2-phenyl-, compd. with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 70203-79-1

System Generated Number

  • 0070203791

Molecular Formulas

Molecular Formula

  • C34-H28-N4-O6.C4-H10-N2

Molecular Formula Fragments

  • C34-H28-N4-O6
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H14N2O3.C4H10N2/c2*20-15(21)10-11-19-16(12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)17(19)22;1-2-6-4-3-5-1/h2*1-9H,10-11H2,(H,20,21);5-6H,1-4H2

InChIKey

PHPRFZIYXBSTDQ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2nc3ccccc3c(=O)n2CCC(=O)O.c1ccc(cc1)c2nc3ccccc3c(=O)n2CCC(=O)O.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of the Indian Chemical Society. Vol. 55, Pg. 1046, 1978.