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Substance Name: 1-Piperazineethanol, alpha-(p-(methylsulfonyl)phenyl)-4-phenyl-, benzoate (ester), maleate
RN: 104058-16-4
InChIKey: JOZGVBRTBOOEHB-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-N2-O4-S.C4-H4-O4

Molecular Weight

  • 580.6548
 
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Names and Synonyms

Synonym

  • 1-(4-Methylsulfonylphenyl)-2-(4-phenylpiperazino)ethyl benzoate maleate

Systematic Name

  • 1-Piperazineethanol, alpha-(p-(methylsulfonyl)phenyl)-4-phenyl-, benzoate (ester), maleate

Registry Numbers

CAS Registry Number

  • 104058-16-4

System Generated Number

  • 0104058164

Molecular Formulas

Molecular Formula

  • C26-H28-N2-O4-S.C4-H4-O4

Molecular Formula Fragments

  • C26-H28-N2-O4-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H28N2O4S.C4H4O4/c1-33(30,31)24-14-12-21(13-15-24)25(32-26(29)22-8-4-2-5-9-22)20-27-16-18-28(19-17-27)23-10-6-3-7-11-23;5-3(6)1-2-4(7)8/h2-15,25H,16-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

JOZGVBRTBOOEHB-BTJKTKAUSA-N

Smiles

CS(=O)(=O)c1ccc(cc1)C(CN2CCN(CC2)c3ccccc3)OC(=O)c4ccccc4.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 1498, 1985.