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Substance Name: Clidinium bromide [USAN:USP:INN:BAN]
RN: 3485-62-9
UNII: 91ZQW5JF1Z
InChIKey: GKEGFOKQMZHVOW-UHFFFAOYSA-M

Classification Codes

  • Anticholinergic
  • Drug / Therapeutic Agent

Molecular Formulas

  • C22-H26-Br-N-O3
  • C22-H26-N-O3.Br

Molecular Weight

  • 432.3554
 
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Names and Synonyms

Name of Substance

  • Clidinium bromide [USAN:USP:INN:BAN]

Synonyms

  • (+-)-3-Hydroxy-1-methylquinuclidinium bromide benzilate
  • 1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, bromide
  • 1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, bromide, (+-)-
  • 1-Methyl-3-(benziloyloxy)quinuclidinium bromide
  • 1-Methyl-3-benzil-oxyloxy-quinuclidinium bromide
  • 3-(2,2-Diphenyl-2-hydroxyethanoyloxy)-quinuclidinium bromide
  • 3-(Benziloyloxy)-1-methylquinuclidinium bromide
  • 3-Hydroxy-1-methylquinuclidinium bromide benzilate
  • Bromure de clidinium
  • Bromure de clidinium [INN-French]
  • Bromuro de clidinio
  • Bromuro de clidinio [INN-Spanish]
  • Clidinii bromidum
  • Clidinii bromidum [INN-Latin]
  • Clidinium bromide
  • EINECS 222-471-3
  • NSC 756686
  • Quarzan
  • Quinuclidinol methylbromide, benzilate
  • Ro 2-3773
  • UNII-91ZQW5JF1Z

Systematic Names

  • 1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, bromide
  • Clidinium bromide
  • Quinuclidinium, 3-hydroxy-1-methyl-, bromide, benzilate

Mixture Names

  • Equirex
  • Librax

Registry Numbers

CAS Registry Number

  • 3485-62-9

FDA UNII

  • 91ZQW5JF1Z

Related Registry Number

  • 7020-55-5 (Parent)

System Generated Number

  • 0003485629

Molecular Formulas

Molecular Formulas

  • C22-H26-Br-N-O3
  • C22-H26-N-O3.Br

Molecular Formula Fragments

  • Br
  • C22-H26-N-O3
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1

InChIKey

GKEGFOKQMZHVOW-UHFFFAOYSA-M

Smiles

[Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 26mg/kg (26mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 291, 1952.
mouse LD50 intraperitoneal 54mg/kg (54mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 284, 1952.
mouse LD50 intravenous 16mg/kg (16mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 284, 1952.
mouse LD50 oral 492mg/kg (492mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 284, 1952.
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 284, 1952.
rat LDLo subcutaneous 1170mg/kg (1170mg/kg)   United States Patent Document. Vol. #3714357,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 240.5 deg C   EXP
log P (octanol-water) -0.510 (none)   EST
Atmospheric OH Rate Constant 5.32E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.