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Substance Name: Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, hydrobromide, hydrate (1:2:2)
RN: 60969-84-8
InChIKey: LEYVLSXJYHBPRM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-O2-S.2Br-H.2H2-O

Molecular Weight

  • 504.285
 
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Names and Synonyms

Synonym

  • 2,3-Dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrobromide 2H2O

Systematic Name

  • Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, hydrobromide, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 60969-84-8

System Generated Number

  • 0060969848

Molecular Formulas

Molecular Formula

  • C19-H22-N2-O2-S.2Br-H.2H2-O

Molecular Formula Fragments

  • Br-H
  • C19-H22-N2-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H22N2O2S.2BrH/c1-20-6-8-21(9-7-20)15-10-13-11-16(22)17(23)12-19(13)24-18-5-3-2-4-14(15)18;;/h2-5,11-12,15,22-23H,6-10H2,1H3;2*1H

InChIKey

LEYVLSXJYHBPRM-UHFFFAOYSA-N

Smiles

N1([C@@H]2c3c(Sc4c(C2)cc(c(O)c4)O)cccc3)CCN(CC1)C.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 1396, 1976.