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Substance Name: Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)
RN: 129664-13-7
InChIKey: JUZBCSNRZBHPGL-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H48-N8-S2.3C4-H4-O4

Molecular Weight

  • 981.156
 
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Names and Synonyms

Synonym

  • 4-(Butylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate (2:3)

Systematic Name

  • Quinazoline, 4-(butylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)

Registry Numbers

CAS Registry Number

  • 129664-13-7

System Generated Number

  • 0129664137

Molecular Formulas

Molecular Formula

  • C34-H48-N8-S2.3C4-H4-O4

Molecular Formula Fragments

  • C34-H48-N8-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H24N4S.3C4H4O4/c2*1-3-4-13-22-16-14-7-5-6-8-15(14)18-17(19-16)21-11-9-20(2)10-12-21;3*5-3(6)1-2-4(7)8/h2*5-8H,3-4,9-13H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

JUZBCSNRZBHPGL-VQYXCCSOSA-N

Smiles

CCCCSc1nc(nc2c1cccc2)N3CCN(CC3)C.CCCCSc1nc(nc2c1cccc2)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 746mg/kg (746mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 1286, 1990.