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Substance Name: Ethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethyl-, fumarate (1:1)
RN: 747-44-4
InChIKey: COLDXMHVSLKESV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O-S.C4-H4-O4

Molecular Weight

  • 415.508
 
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Names and Synonyms

Synonyms

  • 2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylethylamine fumarate
  • Amethobenzepine fumarate

Systematic Name

  • Ethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethyl-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 747-44-4

System Generated Number

  • 0000747444

Molecular Formulas

Molecular Formula

  • C18-H21-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H21-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NOS.C4H4O4/c1-19(2)11-12-20-18-15-8-4-3-7-14(15)13-21-17-10-6-5-9-16(17)18;5-3(6)1-2-4(7)8/h3-10,18H,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

COLDXMHVSLKESV-WLHGVMLRSA-N

Smiles

C(\C(=O)O)=C\C(=O)O.N(CCO[C@@H]1c2c(SCc3c1cccc3)cccc2)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 44mg/kg (44mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 524, 1965.