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Substance Name: 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)
RN: 4233-07-2
InChIKey: KNXSMNQVYWPPES-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-N4-O-S.C4-H4-O4

Molecular Weight

  • 531.03
 
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Names and Synonyms

Synonym

  • 3-(3-(4-m-Chlorophenyl-1-piperazinyl)propyl)-2-thio-4-oxo(1H,3H)quinazoline maleate

Systematic Name

  • 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 4233-07-2

System Generated Number

  • 0004233072

Molecular Formulas

Molecular Formula

  • C21-H23-Cl-N4-O-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H23-Cl-N4-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23ClN4OS.C4H4O4/c22-16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-4-10-26-20(27)18-7-1-2-8-19(18)23-21(26)28;5-3(6)1-2-4(7)8/h1-3,5-8,15H,4,9-14H2,(H,23,28);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

KNXSMNQVYWPPES-BTJKTKAUSA-N

Smiles

c1cc2c(c(n(CCCN3CCN(CC3)c3cc(ccc3)Cl)c(=S)[nH]2)=O)cc1.C(=C/C(O)=O)\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg)   United States Patent Document. Vol. #3919425,