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Substance Name: 1-Piperazineethanol, alpha-(4-(methylsulfonyl)phenyl)-4-phenyl-, (Z)-2-butenedioate (1:1)
RN: 56621-71-7
InChIKey: PQFPAZXINOCHKB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N2-O3-S.C4-H4-O4

Molecular Weight

  • 476.5472
 
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Names and Synonyms

Synonyms

  • 1-(4-Methanesulfonylphenyl)-2-(4-phenylpiperazino)ethanol maleate
  • alpha-(4-(Methylsulfonyl)phenyl)-4-phenyl-1-piperazineethanol maleate

Systematic Name

  • 1-Piperazineethanol, alpha-(4-(methylsulfonyl)phenyl)-4-phenyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 56621-71-7

System Generated Number

  • 0056621717

Molecular Formulas

Molecular Formula

  • C19-H24-N2-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H24-N2-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24N2O3S.C4H4O4/c1-25(23,24)18-9-7-16(8-10-18)19(22)15-20-11-13-21(14-12-20)17-5-3-2-4-6-17;5-3(6)1-2-4(7)8/h2-10,19,22H,11-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PQFPAZXINOCHKB-WLHGVMLRSA-N

Smiles

CS(=O)(=O)c1ccc(cc1)C(CN2CCN(CC2)c3ccccc3)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 1204, 1975.