OXYBUTYNIN CHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1975)
Entry Type: Small molecule
Molecule Category: Salt
UNII: L9F3D9RENQ
Parent Compound: OXYBUTYNIN

Structure
InChI Key SWIJYDAEGSIQPZ-UHFFFAOYSA-N
Smile 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

Pharmacology

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

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Incontinence 3 D014549 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.42
Nervous system disorders
12.91
Gastrointestinal disorders
11.72
Psychiatric disorders
11.24
Injury, poisoning and procedural complications
6.05
Renal and urinary disorders
5.51
Respiratory, thoracic and mediastinal disorders
4.46
Skin and subcutaneous tissue disorders
4.45
Vascular disorders
4.0
Cardiac disorders
3.97
Infections and infestations
3.01
Investigations
2.64
Immune system disorders
2.61
Eye disorders
2.02

Cross References

Resources Reference
ChEBI 7857
ChEMBL CHEMBL1133
EPA CompTox DTXSID3045356
FDA SRS L9F3D9RENQ
Guide to Pharmacology 359
KEGG C07360
PubChem 91505
SureChEMBL SCHEMBL25751
ZINC ZINC01530752
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