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Substance Name: Piperidinium, 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, iodide, (+)-
RN: 30953-88-9
InChIKey: YKZFNZSNUCCJKU-ZMBIFBSDSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-N-O.I

Molecular Weight

  • 443.406
 
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Names and Synonyms

Synonyms

  • (+)-1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methylpiperidinium iodide
  • (+)-Benzhexol methyl iodide

Systematic Name

  • Piperidinium, 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, iodide, (+)-

Registry Numbers

CAS Registry Number

  • 30953-88-9

System Generated Number

  • 0030953889

Molecular Formulas

Molecular Formula

  • C21-H34-N-O.I

Molecular Formula Fragments

  • C21-H34-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H34NO.HI/c1-22(16-9-4-10-17-22)18-15-21(23,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2,5-6,11-12,20,23H,3-4,7-10,13-18H2,1H3;1H/q+1;/p-1/t21-;/m1./s1

InChIKey

YKZFNZSNUCCJKU-ZMBIFBSDSA-M

Smiles

[N+]1(CCCCC1)(C)CC[C@@](c1ccccc1)(O)C1CCCCC1.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12mg/kg (12mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
British Journal of Pharmacology and Chemotherapy. Vol. 10, Pg. 383, 1955.