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Substance Name: 1-Propanamine, N-methyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-, hydrochloride, (E)-
RN: 42505-78-2
InChIKey: JTKSNIIMTHPAAC-FJUODKGNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-S2.Cl-H

Molecular Weight

  • 323.9102
 
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Names and Synonyms

Synonyms

  • trans-4-(3-Methylaminopropylidene)-9H-thieno(2,3-b)benzo(e)thiepin hydrochloride
  • trans-N-Methyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine hydrochloride

Systematic Name

  • 1-Propanamine, N-methyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 42505-78-2

System Generated Number

  • 0042505782

Molecular Formulas

Molecular Formula

  • C16-H17-N-S2.Cl-H

Molecular Formula Fragments

  • C16-H17-N-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H17NS2.ClH/c1-17-9-4-7-14-13-6-3-2-5-12(13)11-19-16-15(14)8-10-18-16;/h2-3,5-8,10,17H,4,9,11H2,1H3;1H/b14-7+;

InChIKey

JTKSNIIMTHPAAC-FJUODKGNSA-N

Smiles

CNCC/C=C/1\c2ccccc2CSc3c1ccs3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 31mg/kg (31mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 1366, 1974.