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Substance Name: Piperazine, 4-(1-(5-bromo-2-(phenylthio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate (1:2)
RN: 112446-64-7
InChIKey: VCZDTQGDNRJKAW-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-Br-N2-S.2C4-H4-O4

Molecular Weight

  • 623.5179
 
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Names and Synonyms

Synonym

  • 4-(1-(5-Bromo-2-(phenylthio)phenyl)ethyl)-1-methylpiperazine bismaleate

Systematic Name

  • Piperazine, 4-(1-(5-bromo-2-(phenylthio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 112446-64-7

System Generated Number

  • 0112446647

Molecular Formulas

Molecular Formula

  • C19-H23-Br-N2-S.2C4-H4-O4

Molecular Formula Fragments

  • C19-H23-Br-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23BrN2S.2C4H4O4/c1-15(22-12-10-21(2)11-13-22)18-14-16(20)8-9-19(18)23-17-6-4-3-5-7-17;2*5-3(6)1-2-4(7)8/h3-9,14-15H,10-13H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VCZDTQGDNRJKAW-LVEZLNDCSA-N

Smiles

CC(N1CCN(CC1)C)c2c(ccc(c2)Br)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 363mg/kg (363mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1062, 1987.