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Substance Name: Ammonium, (4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)trimethyl-, bromide
RN: 2110-33-0
InChIKey: ITUWZGNLDNDFGV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N2-O.Br

Molecular Weight

  • 361.281
 
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Names and Synonyms

Synonym

  • (4-Hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)trimethylammonium bromide

Systematic Name

  • Ammonium, (4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 2110-33-0

System Generated Number

  • 0002110330

Molecular Formulas

Molecular Formula

  • C18-H21-N2-O.Br

Molecular Formula Fragments

  • Br
  • C18-H21-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21N2O.BrH/c1-20(2,3)15-9-13-18(21,16-10-5-4-6-11-16)17-12-7-8-14-19-17;/h4-8,10-12,14,21H,15H2,1-3H3;1H/q+1;/p-1

InChIKey

ITUWZGNLDNDFGV-UHFFFAOYSA-M

Smiles

[BrH-].C(#C[C@@](c1ccccc1)(c1ccccn1)O)C[N+](C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Acta Pharmaceutica Suecica. Vol. 1, Pg. 237, 1964.