OXYBUTYNIN CHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII L9F3D9RENQ
EPA CompTox DTXSID3045356
Parent Compound: OXYBUTYNIN

Structure

InChI Key SWIJYDAEGSIQPZ-UHFFFAOYSA-N
Smiles CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl
InChI
InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32ClNO3
Molecular Weight 393.96
AlogP 3.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M2 antagonist ANTAGONIST ISBN PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 29-80
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 24-80

Target Conservation

Protein: Muscarinic acetylcholine receptor M2
Description: Muscarinic acetylcholine receptor M2
Organism : Homo sapiens
P08172 ENSG00000181072
Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 7857
ChEMBL CHEMBL1133
FDA SRS L9F3D9RENQ
Guide to Pharmacology 359
KEGG C07360
PubChem 91505
SureChEMBL SCHEMBL25751
ZINC ZINC01530752
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