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Substance Name: Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dimethanesulfonate, hemihydrate
RN: 121943-15-5
InChIKey: GKBGOFNOGGHETL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H32-N2-S2.2C-H4-O3-S.1/2H2-O

Molecular Weight

  • 700.962
 
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Names and Synonyms

  • Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dimethanesulfonate, hemihydrate

Registry Numbers

CAS Registry Number

  • 121943-15-5

System Generated Number

  • 0121943155

Molecular Formulas

Molecular Formula

  • C32-H32-N2-S2.2C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C32-H32-N2-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C32H32N2S2.2CH4O3S/c1-35-27-16-17-31-28(23-27)29(22-26-14-8-9-15-30(26)36-31)33-18-20-34(21-19-33)32(24-10-4-2-5-11-24)25-12-6-3-7-13-25;2*1-5(2,3)4/h2-17,23,29,32H,18-22H2,1H3;2*1H3,(H,2,3,4)

InChIKey

GKBGOFNOGGHETL-UHFFFAOYSA-N

Smiles

CSc1ccc2c(c1)C(Cc3ccccc3S2)N4CCN(CC4)C(c5ccccc5)c6ccccc6.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 870, 1988.