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Substance Name: Piperazine, 1-methyl-4-(8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (2:2:1)
RN: 54997-58-9
InChIKey: BCHHCCJWVOTMTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-S.C-H4-O3-S.1/2H2-O

Molecular Weight

  • 446.633
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Piperazine, 1-methyl-4-(8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 54997-58-9

System Generated Number

  • 0054997589

Molecular Formulas

Molecular Formula

  • C22-H26-N2-S.C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H26-N2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H26N2S.CH4O3S/c1-16(2)17-8-9-22-19(14-17)20(24-12-10-23(3)11-13-24)15-18-6-4-5-7-21(18)25-22;1-5(2,3)4/h4-9,14-16H,10-13H2,1-3H3;1H3,(H,2,3,4)

InChIKey

BCHHCCJWVOTMTP-UHFFFAOYSA-N

Smiles

CC(C)c1ccc2c(c1)C(=Cc3ccccc3S2)N4CCN(CC4)C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45500ug/kg (45.5mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 783, 1974.