Drug Information

General Information
Drug ID
DR01421
Drug Name
Clidinium
Synonyms
clidinium; N-Methyl quinuclidinyl benzilate; 7020-55-5; 3-hydroxy-1-methylquinuclidinium benzilate ester; 3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[222]octane; Ro-23773; 3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[222]octane; 1-Azoniabicyclo(222)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-; [3H]clidinium; (-)MQNB; Clidinium bromid; (1-methyl-1-azoniabicyclo[222]octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate; 3-Hydroxy-1-methylquinuclidinium benzilate (ester); Quinuclidinium,; Librax (TN); Benzilic acid, ester with 3-hydroxy-1-methylquinuclidinium; Quinuclidinium, 3-hydroxy-1-methyl-, benzilate (ester); (1-methyl-1-azoniabicyclo[222]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
Drug Type
Small molecular drug
Indication Peptic ulcer [ICD11:DA61] Approved [1]
Therapeutic Class
Analgesics
Structure
3D MOL 2D MOL
Formula
C22H26NO3+
Canonical SMILES
C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H26NO3/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/q+1
InChIKey
HOOSGZJRQIVJSZ-UHFFFAOYSA-N
CAS Number
CAS 7020-55-5
Pharmaceutical Properties Molecular Weight 352.4 Topological Polar Surface Area 46.5
Heavy Atom Count 26 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
XLogP
3.3
PubChem CID
2784
PubChem SID
10055 ,5527706 ,5864563 ,7978960 ,8151796 ,10544421 ,11335873 ,11361112 ,11363050 ,11365612 ,11368174 ,11371367 ,11373981 ,11376336 ,11462084 ,11466850 ,11467970 ,11483904 ,11486400 ,11487940 ,11490170 ,11492106 ,11493970 ,29221939 ,46507814 ,47291148 ,47365199 ,47365200 ,47589012 ,47662296 ,48259241 ,48334503 ,49698978 ,50807214 ,57321458 ,85209725 ,96079550 ,103188114 ,103952426 ,104301601 ,124883402 ,128485066 ,134222992 ,134338362 ,135077135 ,135650108 ,135651180 ,135950079 ,137260982 ,141696484
ChEBI ID
CHEBI:3743
TTD Drug ID
D0Q1BT
DT(s) Transporting This Drug 1-Oct Transporter Info Organic cation transporter 1 Substrate [2]
References
1 Clidinium was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2. J Med Chem. 2013 Sep 26;56(18):7232-42.

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