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Substance Name: Piperazine, 1-(10,11-dihydro-8-(phenylmethoxy)dibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:2)
RN: 39920-44-0
InChIKey: JETWRALGRUQIOP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-N2-O-S.2C-H4-O3-S.2H2-O

Molecular Weight

  • 608.7974
 
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Names and Synonyms

Synonym

  • 8-Benzyloxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate 2H2O

Systematic Name

  • Piperazine, 1-(10,11-dihydro-8-(phenylmethoxy)dibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 39920-44-0

System Generated Number

  • 0039920440

Molecular Formulas

Molecular Formula

  • C26-H28-N2-O-S.2C-H4-O3-S.2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C26-H28-N2-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H28N2OS.2CH4O3S/c1-27-13-15-28(16-14-27)24-17-21-9-5-6-10-25(21)30-26-12-11-22(18-23(24)26)29-19-20-7-3-2-4-8-20;2*1-5(2,3)4/h2-12,18,24H,13-17,19H2,1H3;2*1H3,(H,2,3,4)

InChIKey

JETWRALGRUQIOP-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)OCc5ccccc5.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 58800ug/kg (58.8mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 1579, 1973.