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Substance Name: Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate
RN: 74611-34-0
InChIKey: IJPIXRWVNSSPHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-S2.C-H4-O3-S

Molecular Weight

  • 438.6344
 
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Names and Synonyms

Synonyms

  • 1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)piperazine methanesulfonate
  • 8-Methylthio-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate
  • Desmethyl-methiothepin methanesulfonate
  • VUFB-12343

Systematic Name

  • Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 74611-34-0

System Generated Number

  • 0074611340

Molecular Formulas

Molecular Formula

  • C19-H22-N2-S2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H22-N2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22N2S2.CH4O3S/c1-22-15-6-7-19-16(13-15)17(21-10-8-20-9-11-21)12-14-4-2-3-5-18(14)23-19;1-5(2,3)4/h2-7,13,17,20H,8-12H2,1H3;1H3,(H,2,3,4)

InChIKey

IJPIXRWVNSSPHP-UHFFFAOYSA-N

Smiles

CSc1ccc2c(c1)C(Cc3ccccc3S2)N4CCNCC4.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 87mg/kg (87mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 599, 1973.