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Substance Name: Propylamine, 3-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethyl-, fumarate (1:1)
RN: 861-47-2
InChIKey: FCAKRBWZRWVBQB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O-S.C4-H4-O4

Molecular Weight

  • 429.534
 
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Names and Synonyms

Synonym

  • 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate

Systematic Name

  • Propylamine, 3-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethyl-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 861-47-2

System Generated Number

  • 0000861472

Molecular Formulas

Molecular Formula

  • C19-H23-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H23-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NOS.C4H4O4/c1-20(2)12-7-13-21-19-16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19;5-3(6)1-2-4(7)8/h3-6,8-11,19H,7,12-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FCAKRBWZRWVBQB-WLHGVMLRSA-N

Smiles

c1cc2c(cc1)[C@@H](c1c(CS2)cccc1)OCCCN(C)C.C(\C=C\C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 53mg/kg (53mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 524, 1965.