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Substance Name: Quinazoline, 4-(hexylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1)
RN: 129664-15-9
InChIKey: XJNWHNYREUVOOR-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N4-S.C4-H4-O4

Molecular Weight

  • 460.5958
 
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Names and Synonyms

Synonym

  • 4-(Hexylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129664-15-9

System Generated Number

  • 0129664159

Molecular Formulas

Molecular Formula

  • C19-H28-N4-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H28-N4-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H28N4S.C4H4O4/c1-3-4-5-8-15-24-18-16-9-6-7-10-17(16)20-19(21-18)23-13-11-22(2)12-14-23;5-3(6)1-2-4(7)8/h6-7,9-10H,3-5,8,11-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

XJNWHNYREUVOOR-WLHGVMLRSA-N

Smiles

CCCCCCSc1c2ccccc2nc(n1)N3CCN(CC3)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.