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Substance Name: Piperazine, 1-methyl-4-(8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate, hydrate (2:2:1)
RN: 56056-96-3
InChIKey: LNPIQJUBGNGWIE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N2-S2.C4-H4-O4.1/2H2-O

Molecular Weight

  • 512.6918
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-(8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)piperazine maleate hemihydrate
  • 8-Isobutylthio-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate hemihydrate

Systematic Name

  • Piperazine, 1-methyl-4-(8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 56056-96-3

System Generated Number

  • 0056056963

Molecular Formulas

Molecular Formula

  • C23-H28-N2-S2.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C23-H28-N2-S2
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H28N2S2.C4H4O4/c1-17(2)16-26-19-8-9-23-20(15-19)21(25-12-10-24(3)11-13-25)14-18-6-4-5-7-22(18)27-23;5-3(6)1-2-4(7)8/h4-9,14-15,17H,10-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LNPIQJUBGNGWIE-WLHGVMLRSA-N

Smiles

CC(C)CSc1ccc2c(c1)C(=Cc3ccccc3S2)N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 355mg/kg (355mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 3338, 1974.