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Substance Name: Piperazine, 1-methyl-4-(8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate
RN: 31695-89-3
InChIKey: WNONNLZSVVNADW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-S2.C-H4-O3-S

Molecular Weight

  • 450.645
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-(8-(methylthio)dibenzo(b,f)thiepin-10-yl)piperazine methanesulfonate

Systematic Name

  • Piperazine, 1-methyl-4-(8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 31695-89-3

System Generated Number

  • 0031695893

Molecular Formulas

Molecular Formula

  • C20-H22-N2-S2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H22-N2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N2S2.CH4O3S/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;1-5(2,3)4/h3-8,13-14H,9-12H2,1-2H3;1H3,(H,2,3,4)

InChIKey

WNONNLZSVVNADW-UHFFFAOYSA-N

Smiles

N1(C)CCN(C2=Cc3c(Sc4c2cc(cc4)SC)cccc3)CC1.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 51mg/kg (51mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 35, Pg. 3721, 1970.