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Substance Name: Piperidine, 1-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 127876-76-0
InChIKey: RBUSSMOPYAWSIZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-S.C4-H4-O4

Molecular Weight

  • 399.5085
 
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Names and Synonyms

Synonyms

  • 1-((2-(Phenylthio)phenyl)methyl)piperidine (Z)-2-butenedioate (1:1)
  • N-(2-(Phenylthio)benzyl)piperidine maleate

Systematic Name

  • Piperidine, 1-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 127876-76-0

System Generated Number

  • 0127876760

Molecular Formulas

Molecular Formula

  • C18-H21-N-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H21-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NS.C4H4O4/c1-3-10-17(11-4-1)20-18-12-6-5-9-16(18)15-19-13-7-2-8-14-19;5-3(6)1-2-4(7)8/h1,3-6,9-12H,2,7-8,13-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

RBUSSMOPYAWSIZ-WLHGVMLRSA-N

Smiles

c1ccc(cc1)Sc2ccccc2CN3CCCCC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.
mouse LD50 oral 379mg/kg (379mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.