Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperazine, 1-(7,8-difluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
RN: 60811-11-2
InChIKey: OYKXYDYQFGMEKY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-F2-N2-S.C-H4-O3-S

Molecular Weight

  • 440.5328
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(7,8-Difluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate
  • 7,8-Difluoro-10-(4-methylpiperazino)dibenzo(b,f)thiepin methanesulfonate

Systematic Name

  • Piperazine, 1-(7,8-difluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 60811-11-2

System Generated Number

  • 0060811112

Molecular Formulas

Molecular Formula

  • C19-H18-F2-N2-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H18-F2-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H18F2N2S.CH4O3S/c1-22-6-8-23(9-7-22)17-10-13-4-2-3-5-18(13)24-19-12-16(21)15(20)11-14(17)19;1-5(2,3)4/h2-5,10-12H,6-9H2,1H3;1H3,(H,2,3,4)

InChIKey

OYKXYDYQFGMEKY-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2=Cc3ccccc3Sc4c2cc(c(c4)F)F.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 301mg/kg (301mg/kg) PERIPHERAL NERVE AND SENSATION: PARESTHESIS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 881, 1976.