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Substance Name: Dibenzo(b,e)thiepin-2-carboxylic acid, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, hydrochloride
RN: 142783-62-8
InChIKey: SLOHWVDVEDABAU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-O2-S.Cl-H

Molecular Weight

  • 387.9288
 
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Names and Synonyms

Synonyms

  • 11-(1-Methyl-4-piperidylidene)-6,11-dihydrodibenzo(b,e)thiepine-2-carboxylic acid HCl
  • VUFB 17,689

Systematic Name

  • Dibenzo(b,e)thiepin-2-carboxylic acid, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 142783-62-8

System Generated Number

  • 0142783628

Molecular Formulas

Molecular Formula

  • C21-H21-N-O2-S.Cl-H

Molecular Formula Fragments

  • C21-H21-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21NO2S.ClH/c1-22-10-8-14(9-11-22)20-17-5-3-2-4-16(17)13-25-19-7-6-15(21(23)24)12-18(19)20;/h2-7,12H,8-11,13H2,1H3,(H,23,24);1H

InChIKey

SLOHWVDVEDABAU-UHFFFAOYSA-N

Smiles

Cl.CN1CCC(=C2c3ccccc3CSc4ccc(cc24)C(=O)O)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 765mg/kg (765mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 56, Pg. 2482, 1991.