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Substance Name: 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, cinnamate, dihydrochloride
RN: 36174-43-3
InChIKey: QARHHJTWZIJPTR-BUFQOAPZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H39-N2-O2.2Cl-H

Molecular Weight

  • 533.58
 
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Names and Synonyms

  • 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, cinnamate, dihydrochloride

Registry Numbers

CAS Registry Number

  • 36174-43-3

System Generated Number

  • 0036174433

Molecular Formulas

Molecular Formula

  • C30-H39-N2-O2.2Cl-H

Molecular Formula Fragments

  • C30-H39-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H40N2O2.2ClH/c1-25-22-30(27-16-10-7-11-17-27,34-28(33)19-18-26-14-8-6-9-15-26)29(2,23-31(25)3)24-32-20-12-4-5-13-21-32;;/h6-11,14-19,25H,4-5,12-13,20-24H2,1-3H3;2*1H/b19-18+;;

InChIKey

QARHHJTWZIJPTR-BUFQOAPZSA-N

Smiles

Cl.C(\C=C\c1ccccc1)(=O)O[C@@]1(C[C@@H]([N@@](C[C@@]1(C)CN1CCCCCC1)C)C)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 550mg/kg (550mg/kg)   Russian Pharmacology and Toxicology Vol. 37, Pg. 153, 1974.