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Substance Name: Benzoic acid, 4-(4-oxo-2-(phenoxymethyl)-3(4H)-quinazolinyl)-, compd. with piperazine (2:1)
ID: DH61370000
InChIKey: JTIAEOITGWPXKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H30-N4-O8.C4-H10-N2

Molecular Weight

  • 830.8938
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

ID Number

  • NIOSH/DH6137000

System Generated Number

  • DH61370000

Molecular Formulas

Molecular Formula

  • C44-H30-N4-O8.C4-H10-N2

Molecular Formula Fragments

  • C4-H10-N2
  • C44-H30-N4-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C22H16N2O4.C4H10N2/c2*25-21-18-8-4-5-9-19(18)23-20(14-28-17-6-2-1-3-7-17)24(21)16-12-10-15(11-13-16)22(26)27;1-2-6-4-3-5-1/h2*1-13H,14H2,(H,26,27);5-6H,1-4H2

InChIKey

JTIAEOITGWPXKK-UHFFFAOYSA-N

Smiles

OC(=O)c1ccc(cc1)N2C(=Nc3ccccc3C2=O)COc4ccccc4.OC(=O)c5ccc(cc5)N6C(=Nc7ccccc7C6=O)COc8ccccc8.C9CNCCN9