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Substance Name: 2-Propyn-1-amine, N-(3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-N-methyl-, hydrochloride, (E)-
RN: 85196-07-2
InChIKey: DEPQAJIMDSCQDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-S.Cl-H

Molecular Weight

  • 356.9387
 
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Names and Synonyms

Synonyms

  • (E)-11-(3-(N-Methyl-N-propargylamino)propylidene)-6,11-dihydrodibenzo(b,e)thiepin HCl
  • (E)-N-(3-Dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-N-methyl-2-propyn-1-amine hydrochloride

Systematic Name

  • 2-Propyn-1-amine, N-(3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-N-methyl-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 85196-07-2

System Generated Number

  • 0085196072

Molecular Formulas

Molecular Formula

  • C21-H21-N-S.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C21H22NS.ClH/c1-3-14-22(2)15-8-12-19-18-10-5-4-9-17(18)16-23-21-13-7-6-11-20(19)21;/h1,4-7,9-13,21H,8,14-16H2,2H3;1H

InChIKey

DEPQAJIMDSCQDF-UHFFFAOYSA-N

Smiles

CN(CCC=C1=C2C=CC=CC2SCc3c1cccc3)CC#C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 95800ug/kg (95.8mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 163, 1983.