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Substance Name: Hexopyrronium bromide [INN]
RN: 3734-12-1
UNII: AP73B5SGYV
InChIKey: YEVVXURMULIHJU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N-O3.Br

Molecular Weight

  • 412.365
 
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Names and Synonyms

Name of Substance

  • Hexopyrronium
  • Hexopyrronium bromide [INN]

Synonyms

  • 1,1-Dimethyl-3-hydroxypyrrolidinium bromide alpha-phenylcyclohexaneglycolate
  • AHR 483
  • Bromure d'hexopyrronium
  • Bromure d'hexopyrronium [INN-French]
  • Bromuro de hexopirronio
  • Bromuro de hexopirronio [INN-Spanish]
  • Hexopyrronii bromidum
  • Hexopyrronii bromidum [INN-Latin]
  • Hexopyrronium bromide
  • UNII-AP73B5SGYV

Systematic Names

  • 1,1-Dimethyl-3-hydroxy-pyrrolidinium bromide alpha-phenyl-cyclohexaneglycolate
  • 3-Hydroxy-1,1-dimethylpyrrolidinium bromide, alpha-phenylcyclohexaneglycolate (6CI,7CI)
  • Pyrrolidinium, 1,1-dimethyl-3-hydroxy-, bromide, alpha-phenylcyclohexaneglycolate
  • Pyrrolidinium, 3-((cyclohexylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide (9CI)

Registry Numbers

CAS Registry Number

  • 3734-12-1

FDA UNII

  • AP73B5SGYV

System Generated Number

  • 0003734121

Molecular Formulas

Molecular Formula

  • C20-H30-N-O3.Br

Molecular Formula Fragments

  • Br
  • C20-H30-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30NO3.BrH/c1-21(2)14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3,5-6,9-10,17-18,23H,4,7-8,11-15H2,1-2H3;1H/q+1;/p-1

InChIKey

YEVVXURMULIHJU-UHFFFAOYSA-M

Smiles

[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCCC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 79mg/kg (79mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.