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Substance Name: Benzoic acid, 4-(2-(3,5-dinitrophenyl)-4-oxo-3(4H)-quinazolinyl)-, compd. with piperazine (2:1)
RN: 73265-38-0
InChIKey: AQMFPPWXQBWBEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H22-N8-O14.C4-H10-N2

Molecular Weight

  • 950.8306
 
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Names and Synonyms

Synonyms

  • 4-(2-(3,5-Dinitrophenyl)-4-oxo-3(4H)-quinazolinyl)benzoic acid compd. with piperazine (2:1)
  • Piperazine 1,4-bis(4-(2-(3,5-dinitrophenyl)-4-oxo-3(4H)-quinazolinyl)benzoate)

Systematic Name

  • Benzoic acid, 4-(2-(3,5-dinitrophenyl)-4-oxo-3(4H)-quinazolinyl)-, compd. with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 73265-38-0

System Generated Number

  • 0073265380

Molecular Formulas

Molecular Formula

  • C42-H22-N8-O14.C4-H10-N2

Molecular Formula Fragments

  • C4-H10-N2
  • C42-H22-N8-O14
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H12N4O7.C4H10N2/c2*26-20-17-3-1-2-4-18(17)22-19(23(20)14-7-5-12(6-8-14)21(27)28)13-9-15(24(29)30)11-16(10-13)25(31)32;1-2-6-4-3-5-1/h2*1-11H,(H,27,28);5-6H,1-4H2

InChIKey

AQMFPPWXQBWBEZ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(=O)n(c(n2)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])c4ccc(cc4)C(=O)O.c1ccc2c(c1)c(=O)n(c(n2)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])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.