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Substance Name: Quinazoline, 4-phenoxy-2-(4-(2-propenyl)-1-piperazinyl)-, (E)-2-butenedioate (1:1)
RN: 129112-70-5
InChIKey: LWGOPIGRFQXHCB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N4-O.C4-H4-O4

Molecular Weight

  • 462.5034
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129112-70-5

System Generated Number

  • 0129112705

Molecular Formulas

Molecular Formula

  • C21-H22-N4-O.C4-H4-O4

Molecular Formula Fragments

  • C21-H22-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N4O.C4H4O4/c1-2-12-24-13-15-25(16-14-24)21-22-19-11-7-6-10-18(19)20(23-21)26-17-8-4-3-5-9-17;5-3(6)1-2-4(7)8/h2-11H,1,12-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LWGOPIGRFQXHCB-WLHGVMLRSA-N

Smiles

C=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 > 1gm/kg (1000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 681, 1990.