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Substance Name: Benzoic acid, 4-(2-(2-chlorophenyl)-4-oxo-3(4H)-quinazolinyl)-, compd. with piperazine (2:1)
RN: 73265-30-2
InChIKey: BXLJXIXVIKWYLH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H24-Cl2-N4-O6.C4-H10-N2

Molecular Weight

  • 839.7324
 
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Names and Synonyms

Synonyms

  • 4-(2-(2-Chlorophenyl)-4-oxo-3(4H)-quinazolinyl)benzoic acid compd. with piperazine (2:1)
  • Piperazine 1,4-bis(4-(2-(2-chlorophenyl)-4-oxo-3(4H)-quinazolinyl)benzoate)

Systematic Name

  • Benzoic acid, 4-(2-(2-chlorophenyl)-4-oxo-3(4H)-quinazolinyl)-, compd. with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 73265-30-2

System Generated Number

  • 0073265302

Molecular Formulas

Molecular Formula

  • C42-H24-Cl2-N4-O6.C4-H10-N2

Molecular Formula Fragments

  • C4-H10-N2
  • C42-H24-Cl2-N4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H13ClN2O3.C4H10N2/c2*22-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(25)24(19)14-11-9-13(10-12-14)21(26)27;1-2-6-4-3-5-1/h2*1-12H,(H,26,27);5-6H,1-4H2

InChIKey

BXLJXIXVIKWYLH-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(=O)n(c(n2)c3ccccc3Cl)c4ccc(cc4)C(=O)O.c1ccc2c(c1)c(=O)n(c(n2)c3ccccc3Cl)c4ccc(cc4)C(=O)O.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 379, 1979.