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Substance Name: Dibenzo(b,f)thiepin-2-amine, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, trimethanesulfonate
RN: 58721-95-2
InChIKey: NSVLDXMDOQTHHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-S.3C-H4-O3-S

Molecular Weight

  • 613.794
 
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Names and Synonyms

Synonyms

  • 10,11-Dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-amine trimethanesulfonate
  • 2-Amino-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin tris(methanesulfonate)

Systematic Name

  • Dibenzo(b,f)thiepin-2-amine, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, trimethanesulfonate

Registry Numbers

CAS Registry Number

  • 58721-95-2

System Generated Number

  • 0058721952

Molecular Formulas

Molecular Formula

  • C19-H23-N3-S.3C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H23-N3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23N3S.3CH4O3S/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;3*1-5(2,3)4/h2-7,12,17H,8-11,13,20H2,1H3;3*1H3,(H,2,3,4)

InChIKey

NSVLDXMDOQTHHB-UHFFFAOYSA-N

Smiles

c12[C@@H]([NH+]3CC[NH+](CC3)C)Cc3c(Sc1cccc2)ccc(c3)[NH2+].S(C)(=O)(=O)[O-].S(C)(=O)(=O)[O-].S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 158mg/kg (158mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 2649, 1975.