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Substance Name: Piperazine, 1-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, methanesulfonate, hydrate (2:4:1)
RN: 74667-81-5
InChIKey: DHBXDPAMTUXDKX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-O3-S2.2C-H4-O3-S.1/2H2-O

Molecular Weight

  • 582.737
 
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Names and Synonyms

Synonym

  • VUFB-12356

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 74667-81-5

System Generated Number

  • 0074667815

Molecular Formulas

Molecular Formula

  • C19-H22-N2-O3-S2.2C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H22-N2-O3-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H22N2O3S2.2CH4O3S/c1-26(23,24)15-6-7-19-16(13-15)17(21-10-8-20-9-11-21)12-14-4-2-3-5-18(14)25(19)22;2*1-5(2,3)4/h2-7,13,17,20H,8-12H2,1H3;2*1H3,(H,2,3,4)

InChIKey

DHBXDPAMTUXDKX-UHFFFAOYSA-N

Smiles

CS(=O)(=O)c1ccc2c(c1)C(Cc3ccccc3S2=O)N4CCNCC4.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 105mg/kg (105mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 529, 1980.