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Substance Name: Piperazine, 1-(8-bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate
RN: 13549-21-8
InChIKey: JPNGOBZOWYGRFR-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Br-N2-S.C4-H4-O4

Molecular Weight

  • 505.431
 
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Names and Synonyms

Synonyms

  • 8-Bromo-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • Dibenzo(b,f)thiepin, 10,11-dihydro-8-bromo-10-(4-methylpiperazino)-, hydrogen maleate
  • Dibenzo(b,f)thiepin, 8-bromo-10,11-dihydro-10-(4-methylpiperazino)-, hydrogen maleate

Systematic Name

  • Piperazine, 1-(8-bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate

Registry Numbers

CAS Registry Number

  • 13549-21-8

System Generated Number

  • 0013549218

Molecular Formulas

Molecular Formula

  • C19-H21-Br-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H21-Br-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21BrN2S.C4H4O4/c1-21-9-11-22(12-10-21)17-13-14-5-2-3-8-18(14)23-19-15(17)6-4-7-16(19)20;5-3(6)1-2-4(7)8/h2-8,17H,9-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

JPNGOBZOWYGRFR-BTJKTKAUSA-N

Smiles

S1c2c([C@@H](N3CCN(CC3)C)Cc3c1cccc3)cccc2Br.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 78mg/kg (78mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Activitas Nervosa Superior. Vol. 9, Pg. 422, 1967.
mouse LD50 oral 130mg/kg (130mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2484, 1973.