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Substance Name: 1-Propanone, 1-(4-(butylsulfinyl)phenyl)-2-methyl-3-(1-piperidinyl)-, (E)-2-butenedioate (1:1)
RN: 69566-55-8
InChIKey: RWHMCWYJJFEGIV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-N-O2-S.C4-H4-O4

Molecular Weight

  • 451.5807
 
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Names and Synonyms

Synonyms

  • 1-(4-(Butylsulfinyl)phenyl)-2-methyl-3-(1-piperidinyl)-1-propanone (E)-2-butenedioate (1:1)
  • 1-(4-Butylsulfinylphenyl)piperidino-2-methylpropannone-1 fumarate

Systematic Name

  • 1-Propanone, 1-(4-(butylsulfinyl)phenyl)-2-methyl-3-(1-piperidinyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 69566-55-8

System Generated Number

  • 0069566558

Molecular Formulas

Molecular Formula

  • C19-H29-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H29-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H29NO2S.C4H4O4/c1-3-4-14-23(22)18-10-8-17(9-11-18)19(21)16(2)15-20-12-6-5-7-13-20;5-3(6)1-2-4(7)8/h8-11,16H,3-7,12-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

RWHMCWYJJFEGIV-WLHGVMLRSA-N

Smiles

CCCCS(=O)c1ccc(cc1)C(=O)C(C)CN2CCCCC2.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4237141,