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Substance Name: Piperazine, 1-(10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate,hydrate (2:3:1)
RN: 73129-08-5
InChIKey: PIERVDHABBYRDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O-S.3/2C-H4-O3-S.1/2H2-O

Molecular Weight

  • 969.294
 
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Names and Synonyms

Synonyms

  • 3-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate hydrate
  • VUFB-12252

Systematic Name

  • Piperazine, 1-(10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate,hydrate (2:3:1)

Registry Numbers

CAS Registry Number

  • 73129-08-5

System Generated Number

  • 0073129085

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O-S.3/2C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H24-N2-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C20H24N2OS.3CH4O3S/c2*1-21-9-11-22(12-10-21)18-13-15-7-8-16(23-2)14-20(15)24-19-6-4-3-5-17(18)19;3*1-5(2,3)4/h2*3-8,14,18H,9-13H2,1-2H3;3*1H3,(H,2,3,4)

InChIKey

PIERVDHABBYRDG-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cccc4)OC.CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cccc4)OC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 254mg/kg (254mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 2108, 1979.