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Substance Name: Phenol, m-(1-allyl-2,3-dimethyl-3-piperidyl)-, hydrobromide
RN: 3161-20-4
InChIKey: UPVUCLYNEDRBBH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O.Br-H

Molecular Weight

  • 326.276
 
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Names and Synonyms

Synonyms

  • m-(1-Allyl-2,3-dimethyl-3-piperidyl)phenol hydrobromide
  • N-Allyl-2,3-dimethyl-3-(m-hydroxyphenyl)piperidine hydrobromide
  • Piperidine, N-allyl-2,3-dimethyl-3-(m-hydroxyphenyl)-, hydrobromide

Systematic Name

  • Phenol, m-(1-allyl-2,3-dimethyl-3-piperidyl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 3161-20-4

System Generated Number

  • 0003161204

Molecular Formulas

Molecular Formula

  • C16-H23-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H23-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO.BrH/c1-4-10-17-11-6-9-16(3,13(17)2)14-7-5-8-15(18)12-14;/h4-5,7-8,12-13,18H,1,6,9-11H2,2-3H3;1H

InChIKey

UPVUCLYNEDRBBH-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)[C@@]1([C@@H]([N@@](CCC1)CC=C)C)C)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 182mg/kg (182mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 313, 1965.