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Substance Name: Piperazine, 1-(10,11-dihydro-3,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:1)
RN: 73029-64-8
InChIKey: IPURYIOQNOFHCD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O2-S.2C-H4-O3-S.H2-O

Molecular Weight

  • 562.7256
 
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Names and Synonyms

Synonyms

  • 3,8-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O
  • VUFB-12393

Systematic Name

  • Piperazine, 1-(10,11-dihydro-3,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 73029-64-8

System Generated Number

  • 0073029648

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O2-S.2C-H4-O3-S.H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H26-N2-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H26N2O2S.2CH4O3S/c1-22-8-10-23(11-9-22)19-12-15-4-5-17(25-3)14-21(15)26-20-7-6-16(24-2)13-18(19)20;2*1-5(2,3)4/h4-7,13-14,19H,8-12H2,1-3H3;2*1H3,(H,2,3,4)

InChIKey

IPURYIOQNOFHCD-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 78mg/kg (78mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 2987, 1979.