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Substance Name: Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate
RN: 59083-72-6
InChIKey: CIWCJPSEVQLWGD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-S.C-H3-O3-S

Molecular Weight

  • 318.4598
 
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Names and Synonyms

Synonym

  • 1-((4-(Methylthio)phenyl)methyl)piperazine monomethanesulfonate

Systematic Name

  • Piperazine, 1-((4-(methylthio)phenyl)methyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 59083-72-6

System Generated Number

  • 0059083726

Molecular Formulas

Molecular Formula

  • C12-H18-N2-S.C-H3-O3-S

Molecular Formula Fragments

  • C-H3-O3-S
  • C12-H18-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2S.CH4O3S/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14;1-5(2,3)4/h2-5,13H,6-10H2,1H3;1H3,(H,2,3,4)

InChIKey

CIWCJPSEVQLWGD-UHFFFAOYSA-N

Smiles

CSc1ccc(cc1)CN2CCNCC2.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3904, 1975.