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Substance Name: Quinazoline, 2-(4-(2-methyl-2-propenyl)-1-piperazinyl)-4-(pentyloxy)-, (E)-2-butenedioate (1:1)
RN: 129664-22-8
InChIKey: TZGKKRWAHYXYDS-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-Methacrylyl-1-piperazinyl)-4-(pentylthio)-quinazoline fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129664-22-8

System Generated Number

  • 0129664228

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/c1-4-5-8-15-26-20-18-9-6-7-10-19(18)22-21(23-20)25-13-11-24(12-14-25)16-17(2)3;5-3(6)1-2-4(7)8/h6-7,9-10H,2,4-5,8,11-16H2,1,3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

TZGKKRWAHYXYDS-WLHGVMLRSA-N

Smiles

CCCCCOc1c2ccccc2nc(n1)N3CCN(CC3)CC(=C)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 1286, 1990.