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Substance Name: Quinazoline, 4-((2-methylpentyl)oxy)-2-(4-(2-propenyl)-1-piperazinyl)-, (E)-2-butenedioate (1:1)
RN: 129664-18-2
InChIKey: ABBJTZBIJPLIOG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N4-O.C4-H4-O4

Molecular Weight

  • 470.5666
 
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Names and Synonyms

Synonym

  • 2-(4-Allyl-1-piperazinyl)-4-(2-methylpentoxy)quinazoline fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129664-18-2

System Generated Number

  • 0129664182

Molecular Formulas

Molecular Formula

  • C21-H30-N4-O.C4-H4-O4

Molecular Formula Fragments

  • C21-H30-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30N4O.C4H4O4/c1-4-8-17(3)16-26-20-18-9-6-7-10-19(18)22-21(23-20)25-14-12-24(11-5-2)13-15-25;5-3(6)1-2-4(7)8/h5-7,9-10,17H,2,4,8,11-16H2,1,3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ABBJTZBIJPLIOG-WLHGVMLRSA-N

Smiles

CCCC(C)COc1c2ccccc2nc(n1)N3CCN(CC3)CC=C.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. 1286, 1990.