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Substance Name: Quinazoline, 2-(4-ethyl-1-piperazinyl)-4-phenoxy-, (E)-2-butenedioate (1:1)
RN: 129123-99-5
InChIKey: DXDGPABJQSITJP-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N4-O.C4-H4-O4.5H2-O

Molecular Weight

  • 450.4924
 
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Names and Synonyms

Synonym

  • 2-(4-Ethyl-1-piperazinyl)-4-phenoxyquinazoline fumarate

Systematic Name

  • Quinazoline, 2-(4-ethyl-1-piperazinyl)-4-phenoxy-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129123-99-5

System Generated Number

  • 0129123995

Molecular Formulas

Molecular Formula

  • C20-H22-N4-O.C4-H4-O4.5H2-O

Molecular Formula Fragments

  • C20-H22-N4-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H22N4O.C4H4O4/c1-2-23-12-14-24(15-13-23)20-21-18-11-7-6-10-17(18)19(22-20)25-16-8-4-3-5-9-16;5-3(6)1-2-4(7)8/h3-11H,2,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DXDGPABJQSITJP-WLHGVMLRSA-N

Smiles

CCN1CCN(CC1)c2nc3ccccc3c(n2)Oc4ccccc4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 876mg/kg (876mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 681, 1990.