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Substance Name: Piperazine, 1-(2-bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
RN: 58722-64-8
InChIKey: RLRFBZMXPYKCMI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Br-N2-S.2C-H4-O3-S

Molecular Weight

  • 581.5701
 
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Names and Synonyms

Synonym

  • 1-(2-Bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine dimethanesulfonate

Systematic Name

  • Piperazine, 1-(2-bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 58722-64-8

System Generated Number

  • 0058722648

Molecular Formulas

Molecular Formula

  • C19-H21-Br-N2-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H21-Br-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21BrN2S.2CH4O3S/c1-21-8-10-22(11-9-21)17-13-14-12-15(20)6-7-18(14)23-19-5-3-2-4-16(17)19;2*1-5(2,3)4/h2-7,12,17H,8-11,13H2,1H3;2*1H3,(H,2,3,4)

InChIKey

RLRFBZMXPYKCMI-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3cc(ccc3Sc4c2cccc4)Br.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 191mg/kg (191mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 2887, 1975.