Compound: clidinium
SMILES: O=C(OC1C2CC[N+](C1)(C)CC2)C(O)(c3ccccc3)c4ccccc4
InChIKey: HOOSGZJRQIVJSZ-UHFFFAOYSA-N
Synonyms: clidinium, 7020-55-5, N-Methyl quinuclidinyl benzilate, Clidinium ion, Clidinium cation, 3-hydroxy-1-methylquinuclidinium benzilate ester, BO76JF850N, CHEBI:3743, DTXSID6045379, 3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane, 3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane, 3-((hydroxy(diphenyl)acetyl)oxy)-1-methyl-1-azoniabicyclo(2.2.2)octane, (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)acetate, 3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo(2.2.2)octane, RefChem:577717, DTXCID4025379, (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate, [3H]clidinium, UNII-BO76JF850N, (-)MQNB, 3-Hydroxy-1-methylquinuclidinium benzilate (ester), Quinuclidinium, 3-hydroxy-1-methyl-, benzilate (ester), Benzilic acid, ester with 3-hydroxy-1-methylquinuclidinium, Spectrum_000156, [3H](-)N-methyl-3-quinuclidinyl benzilate, Prestwick0_000822, Prestwick1_000822, Prestwick2_000822, Prestwick3_000822, Spectrum2_000124, Spectrum3_000354, Spectrum4_000291, Spectrum5_001529, CLIDINIUM [VANDF], CHEMBL620, CLIDINIUM [WHO-DD], BSPBio_000743, BSPBio_002047, GTPL351, GTPL366, KBioGR_000842, KBioSS_000636, DivK1c_000698, SPBio_000168, SPBio_002664, BPBio1_000819, SCHEMBL14095206, CHEBI:95170, KBio1_000698, KBio2_000636, KBio2_003204, KBio2_005772, KBio3_001267, NINDS_000698, 1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, DB00771, IDI1_000698, NCGC00018171-02, SBI-0051315.P003, AB00053797, NS00009944, C07853, AB00053797_15, L001027, Q5132472, BRD-A46066006-004-15-0, BRD-A46066006-004-22-6, (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate, 3-(2-hydroxy-2,2-diphenylacetoxy)-1-methyl-1-azoniabicyclo[2.2.2]octane, 3-{[Hydroxydi(phenyl)acetyl]oxy}-1-methyl-1-azabicyclo[2.2.2]octan-1-ium, 1-Azoniabicyclo[2.2.2]octane, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-, 2-hydroxy-2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester
Theoretical properties:
molecular_formula: C22H26NO3+
molecular_weight: 352.4 g/mol
exact_mass: 352.19126869 g/mol
formal_charge: 1
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 5
heavy_atom_count: 26
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 240-241 °C
Descriptions:
pubchem: 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.
chembl: CLIDINIUM is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Clidinium bromide (INN) is an anticholinergic (specifically a muscarinic antagonist) drug. It may help symptoms of cramping and abdominal/stomach pain by decreasing stomach acid, and slowing the intestines. It is commonly prescribed in combination with chlordiazepoxide (a benzodiazepine derivative) using the brand name Librax,Normaxin CC.