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Substance Name: Ammonium, benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl-, chloride
RN: 23772-16-9
InChIKey: QRNHIBMNHFSQOG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H28-N-O-S.Cl

Molecular Weight

  • 426.021
 
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Names and Synonyms

Synonyms

  • Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride
  • N-(2-(6,11-Dihydrodibenzo(b,e)thiepin-11-yloxy)ethyl)-N-benzyl-N,N-dimethylammonium chloride

Systematic Name

  • Ammonium, benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 23772-16-9

System Generated Number

  • 0023772169

Molecular Formulas

Molecular Formula

  • C25-H28-N-O-S.Cl

Molecular Formula Fragments

  • C25-H28-N-O-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C25H28NOS.ClH/c1-26(2,18-20-10-4-3-5-11-20)16-17-27-25-22-13-7-6-12-21(22)19-28-24-15-9-8-14-23(24)25;/h3-15,25H,16-19H2,1-2H3;1H/q+1;/p-1

InChIKey

QRNHIBMNHFSQOG-UHFFFAOYSA-M

Smiles

[N+](C)(C)(CCO[C@@H]1c2c(SCc3c1cccc3)cccc2)Cc1ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4mg/kg (4mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Collection of Czechoslovak Chemical Communications. Vol. 34, Pg. 1278, 1969.