Clidinium

HCID 2784

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Grundinformationen

CAS: 7020-55-5
Standard-SMILES: C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2
InChIKey: HOOSGZJRQIVJSZ-UHFFFAOYSA-N
Summenformel: C22H26NO3+
Durchschnittliche Molmasse: 352,4 g/mol
Monoisotopische Masse: 352,19126869

Überblick

Clidinium is the ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, 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 an anti-arrhythmia drug, a parasympatholytic and an antispasmodic drug. It is an organic cation, a carboxylic ester and a quaternary ammonium ion. It is functionally related to a 3-quinuclidinol and a benzilic acid.

Namen und Bezeichner

Bevorzugter Name: Clidinium
IUPAC: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
Englischer Name: clidinium
Summenformel: C22H26NO3+
Molmasse: 352.45

Namen und Synonyme

clidinium7020-55-5N-Methyl quinuclidinyl benzilateClidinium ionClidinium cation3-hydroxy-1-methylquinuclidinium benzilate esterBO76JF850NCHEBI:3743DTXSID60453793-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane3-((hydroxy(diphenyl)acetyl)oxy)-1-methyl-1-azoniabicyclo(2.2.2)octane

Weitere Namen anzeigen

Clidinium bromide salt13C,2H3]-Clidinium bromide salt3-Hydroxy-1-methylquinuclidinium benzilate (ester)Quinuclidinium, 3-hydroxy-1-methyl-, benzilate (ester)1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-

(1-methyl-1-azoniabicyclo(2.2.2)octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate(1-methyl-1-azoniabicyclo[2.2.2]octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo(2.2.2)octaneRefChem:577717DTXCID4025379(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate[3H]clidiniumUNII-BO76JF850N

Datenbank-Bezeichner

CAS: 7020-55-5
PubChem CID: 2784
DTXSID: DTXSID6045379
ChEMBL: CHEMBL620
ChEBI: CHEBI:3743
UNII: BO76JF850N
Nikkaji: J350.296A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 26
Formalladung: 1
Komplexität: 482

Experimentelle und physikochemische Eigenschaften

Human DrugsPharmaceuticals

Melting Point240-241 °C

Collision Cross Section181.98 Å² [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Gefahrenhinweise

Regulatory InformationChemical: 1-Azoniabicyclo[2.2.2]octane, 3-[(hydroxydiphenylacetyl)oxy]-1-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Chemie und Industrie

Pharmakologische Informationen

PharmacodynamicsClidinium is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract.

Mechanism of ActionInhibits muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites primarily by inhibiting the M1 muscarinic receptors.

FDA Pharmacological Classification · 6 Einträge

BO76JF850N

CLIDINIUM

Established Pharmacologic Class [EPC] - Anticholinergic

Physiologic Effects [PE] - Decreased Parasympathetic Acetylcholine Activity

Physiologic Effects [PE] - GI Motility Alteration

Physiologic Effects [PE] - Digestive/GI System Activity Alteration

MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.

Verwendung und Herstellung

Use ClassificationPharmaceuticals

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Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: The ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spa ms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome.

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