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Substance Name: Quinazoline, 2-(4-(2-propenyl)-1-piperazinyl)-4-propoxy-, (E)-2-butenedioate (1:1)
RN: 129664-00-2
InChIKey: IUHFBXAGCCTZQG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N4-O.C4-H4-O4

Molecular Weight

  • 428.4862
 
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Names and Synonyms

Synonyms

  • 2-(4-(2-Propenyl)-1-piperazinyl)-4-propoxyquinazoline (E)-2-butenedioate (1:1)
  • 2-(4-Allyl-1-piperazinyl)-4-propoxyquinazoline fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129664-00-2

System Generated Number

  • 0129664002

Molecular Formulas

Molecular Formula

  • C18-H24-N4-O.C4-H4-O4

Molecular Formula Fragments

  • C18-H24-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H24N4O.C4H4O4/c1-3-9-21-10-12-22(13-11-21)18-19-16-8-6-5-7-15(16)17(20-18)23-14-4-2;5-3(6)1-2-4(7)8/h3,5-8H,1,4,9-14H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

IUHFBXAGCCTZQG-WLHGVMLRSA-N

Smiles

CCCOc1c2ccccc2nc(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 429mg/kg (429mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 1286, 1990.