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3485-62-9

3485-62-9 structural image
Product Name: Clidinium bromide
Formula: C22H26BrNO3
Synonyms: 3-[(Hydroxydiphenylacetyl)oxy]-1-methyl-1-azoniabicyclo[2.2.2]octane bromide;3-Hydroxy-1-methylquinuclidinium bromide benzilate
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 183.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 432.3 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 431.10961 g/mol
Monoisotopic Mass 431.10961 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 482
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Clidinium bromide is the bromide salt of clinidium. It is used for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome. It has a role as a parasympatholytic, an antispasmodic drug and an anti-arrhythmia drug. It is a quaternary ammonium salt and an organic bromide salt. It contains a clidinium. It is functionally related to a benzilic acid and a 3-quinuclidinol.

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