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Substance Name: Quinazoline, 4-(3-methoxyphenoxy)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)
RN: 129112-66-9
InChIKey: MPJVEQDCIPNMTQ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N4-O2.C4-H4-O4

Molecular Weight

  • 466.4914
 
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Names and Synonyms

Synonym

  • 4-(3-Methoxyphenoxy)-2-(4-methyl-1-piperazinyl)quinazoline fumarate

Systematic Name

  • Quinazoline, 4-(3-methoxyphenoxy)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129112-66-9

System Generated Number

  • 0129112669

Molecular Formulas

Molecular Formula

  • C20-H22-N4-O2.C4-H4-O4

Molecular Formula Fragments

  • C20-H22-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N4O2.C4H4O4/c1-23-10-12-24(13-11-23)20-21-18-9-4-3-8-17(18)19(22-20)26-16-7-5-6-15(14-16)25-2;5-3(6)1-2-4(7)8/h3-9,14H,10-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MPJVEQDCIPNMTQ-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)c2nc3ccccc3c(n2)Oc4cccc(c4)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 681, 1990.