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Substance Name: Ammonium, (4-cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)diethylmethyl-, bromide
RN: 2110-44-3
InChIKey: ONJDEBPQOLJIOJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-N-O.Br

Molecular Weight

  • 394.394
 
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Names and Synonyms

Synonyms

  • (4-Cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)diethylmethylammonium bromide
  • 2-Butyn-1-aminium, 4-cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenyl-, bromide

Systematic Name

  • Ammonium, (4-cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)diethylmethyl-, bromide

Registry Numbers

CAS Registry Number

  • 2110-44-3

System Generated Number

  • 0002110443

Molecular Formulas

Molecular Formula

  • C21-H32-N-O.Br

Molecular Formula Fragments

  • Br
  • C21-H32-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32NO.BrH/c1-4-22(3,5-2)18-12-17-21(23,19-13-8-6-9-14-19)20-15-10-7-11-16-20;/h6,8-9,13-14,20,23H,4-5,7,10-11,15-16,18H2,1-3H3;1H/q+1;/p-1

InChIKey

ONJDEBPQOLJIOJ-UHFFFAOYSA-M

Smiles

c1([C@@](C2CCCCC2)(C#CC[N+](CC)(CC)C)O)ccccc1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   Acta Pharmaceutica Suecica. Vol. 1, Pg. 237, 1964.