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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-ethyl-, monomethanesulfonate
RN: 61014-90-2
InChIKey: KLJXTMLDSXQQDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-S.C-H4-O3-S

Molecular Weight

  • 455.0403
 
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Names and Synonyms

Synonym

  • 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-ethyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 61014-90-2

System Generated Number

  • 0061014902

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H23-Cl-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23ClN2S.CH4O3S/c1-2-22-9-11-23(12-10-22)18-13-15-5-3-4-6-19(15)24-20-8-7-16(21)14-17(18)20;1-5(2,3)4/h3-8,14,18H,2,9-13H2,1H3;1H3,(H,2,3,4)

InChIKey

KLJXTMLDSXQQDK-UHFFFAOYSA-N

Smiles

CCN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 78600ug/kg (78.6mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 910, 1976.