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Substance Name: Piperazine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-4-methyl-, (Z)-2-butenedioate, hydrate (1:2:1)
RN: 117596-43-7
InChIKey: MZFWLUMYAZSWAR-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-S.2C4-H4-O4.H2-O

Molecular Weight

  • 557.6209
 
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Names and Synonyms

Synonyms

  • 1-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)-4-methylpiperazine dimaleate hydrate
  • N,N-(N-Methyl-3-azapentane-1,5-diyl)-(2-(phenylthio)phenyl)acetamidine dimaleate monohydrate

Systematic Name

  • Piperazine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-4-methyl-, (Z)-2-butenedioate, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 117596-43-7

System Generated Number

  • 0117596437

Molecular Formulas

Molecular Formula

  • C19-H23-N3-S.2C4-H4-O4.H2-O

Molecular Formula Fragments

  • C19-H23-N3-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H23N3S.2C4H4O4/c1-21-11-13-22(14-12-21)19(20)15-16-7-5-6-10-18(16)23-17-8-3-2-4-9-17;2*5-3(6)1-2-4(7)8/h2-10,20H,11-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

MZFWLUMYAZSWAR-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)C(=N)Cc2c(cccc2)Sc3ccccc3.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 964mg/kg (964mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 381, 1988.