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Substance Name: Piperidine, 1-(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, fumarate (1:1)
RN: 16679-30-4
InChIKey: RMTRBIRCWRHHKK-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O-S.C4-H4-O4

Molecular Weight

  • 455.572
 
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Names and Synonyms

Synonym

  • 1-(2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)piperidine fumarate

Systematic Name

  • Piperidine, 1-(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 16679-30-4

Other Registry Number

  • 1253-02-7

System Generated Number

  • 0016679304

Molecular Formulas

Molecular Formula

  • C21-H25-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NOS.C4H4O4/c1-6-12-22(13-7-1)14-15-23-21-18-9-3-2-8-17(18)16-24-20-11-5-4-10-19(20)21;5-3(6)1-2-4(7)8/h2-5,8-11,21H,1,6-7,12-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

RMTRBIRCWRHHKK-WLHGVMLRSA-N

Smiles

C(=O)(O)\C=C\C(=O)O.N1(CCCCC1)CCO[C@@H]1c2c(SCc3c1cccc3)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 524, 1965.