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Substance Name: 2,4(1H,3H)-Quinazolinedione, 6-chloro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-, (Z)-2-butenedioate (1:1)
RN: 4052-18-0
InChIKey: DFUDNETVVOCIMC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-Cl2-N4-O2.C4-H4-O4

Molecular Weight

  • 549.408
 
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Names and Synonyms

Synonym

  • 6-Chloro-3-(3-(4-m-chlorophenyl-1-piperazinyl)propyl)-2,4(1H,3H)-quinazolinedione maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4052-18-0

System Generated Number

  • 0004052180

Molecular Formulas

Molecular Formula

  • C21-H22-Cl2-N4-O2.C4-H4-O4

Molecular Formula Fragments

  • C21-H22-Cl2-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22Cl2N4O2.C4H4O4/c22-15-3-1-4-17(13-15)26-11-9-25(10-12-26)7-2-8-27-20(28)18-14-16(23)5-6-19(18)24-21(27)29;5-3(6)1-2-4(7)8/h1,3-6,13-14H,2,7-12H2,(H,24,29);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DFUDNETVVOCIMC-WLHGVMLRSA-N

Smiles

[nH]1c(n(CCCN2CCN(CC2)c2cc(ccc2)Cl)c(=O)c2cc(Cl)ccc12)=O.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1470mg/kg (1470mg/kg)   United States Patent Document. Vol. #3919425,