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Substance Name: Quinazoline, 2-(4-butyl-1-piperazinyl)-4-(pentyloxy)-, (E)-2-butenedioate (1:1)
RN: 129664-03-5
InChIKey: QTAIKANOBHRZAX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-N4-O.C4-H4-O4

Molecular Weight

  • 472.5824
 
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Names and Synonyms

Synonym

  • 2-(4-Butyl-1-piperazinyl)-4-pentyloxyquinazoline fumarate

Systematic Name

  • Quinazoline, 2-(4-butyl-1-piperazinyl)-4-(pentyloxy)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129664-03-5

System Generated Number

  • 0129664035

Molecular Formulas

Molecular Formula

  • C21-H32-N4-O.C4-H4-O4

Molecular Formula Fragments

  • C21-H32-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32N4O.C4H4O4/c1-3-5-9-17-26-20-18-10-7-8-11-19(18)22-21(23-20)25-15-13-24(14-16-25)12-6-4-2;5-3(6)1-2-4(7)8/h7-8,10-11H,3-6,9,12-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QTAIKANOBHRZAX-WLHGVMLRSA-N

Smiles

CCCCCOc1c2ccccc2nc(n1)N3CCN(CC3)CCCC.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.