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Substance Name: 2,4(1H,3H)-Quinazolinedione, 6-chloro-3-(4-(4-phenyl-1-piperazinyl)butyl)-, (Z)-2-butenedioate (1:1)
RN: 4119-06-6
InChIKey: CTJKQCDORSQXRY-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Cl-N4-O2.C4-H4-O4

Molecular Weight

  • 528.99
 
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Names and Synonyms

Synonym

  • 6-Chloro-3-(4-(4-phenyl-1-piperazinyl)butyl)-2,4(1H,3H)-quinazolinedione maleate

Systematic Name

  • 2,4(1H,3H)-Quinazolinedione, 6-chloro-3-(4-(4-phenyl-1-piperazinyl)butyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 4119-06-6

System Generated Number

  • 0004119066

Molecular Formulas

Molecular Formula

  • C22-H25-Cl-N4-O2.C4-H4-O4

Molecular Formula Fragments

  • C22-H25-Cl-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25ClN4O2.C4H4O4/c23-17-8-9-20-19(16-17)21(28)27(22(29)24-20)11-5-4-10-25-12-14-26(15-13-25)18-6-2-1-3-7-18;5-3(6)1-2-4(7)8/h1-3,6-9,16H,4-5,10-15H2,(H,24,29);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CTJKQCDORSQXRY-WLHGVMLRSA-N

Smiles

C(\C=C\C(=O)O)(=O)O.[nH]1c(n(c(c2cc(ccc12)Cl)=O)CCCCN1CCN(CC1)c1ccccc1)=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,