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Substance Name: 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate
RN: 86499-09-4
InChIKey: JNPWVBCRMOPCRM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-N2-O-S.C-H4-O3-S

Molecular Weight

  • 499.0929
 
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Names and Synonyms

Synonym

  • 2-Chloro-11-(4-(2-hydroxybutyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86499-09-4

System Generated Number

  • 0086499094

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-N2-O-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H27-Cl-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27ClN2OS.CH4O3S/c1-2-18(26)15-24-9-11-25(12-10-24)20-13-16-5-3-4-6-21(16)27-22-8-7-17(23)14-19(20)22;1-5(2,3)4/h3-8,14,18,20,26H,2,9-13,15H2,1H3;1H3,(H,2,3,4)

InChIKey

JNPWVBCRMOPCRM-UHFFFAOYSA-N

Smiles

CCC(CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 139mg/kg (139mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 906, 1983.