Structure

InChI Key VPNYRYCIDCJBOM-UHFFFAOYSA-M
Smile C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]
InChI
InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28BrNO3
Molecular Weight 398.34
AlogP 2.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M1 antagonist ISBN PubMed DailyMed
Primary Target
M1 receptor
M2 receptor
M3 receptor
M4 receptor
M5 receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 3 D001249 ClinicalTrials
Burns 3 D002056 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Hyperhidrosis 2 D006945 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Sialorrhea 1 D012798 ClinicalTrials
Depressive Disorder 1 D003866 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture
Mixture

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
25.78
General disorders and administration site conditions
12.08
Cardiac disorders
9.36
Nervous system disorders
6.87
Investigations
5.9
Injury, poisoning and procedural complications
5.49
Gastrointestinal disorders
5.06
Infections and infestations
4.7
Psychiatric disorders
4.02
Immune system disorders
3.76
Musculoskeletal and connective tissue disorders
3.51
Vascular disorders
3.42
Skin and subcutaneous tissue disorders
2.83

Cross References

Resources Reference
ChEBI 90972
ChEMBL CHEMBL1201027
DrugBank DB00986
EPA CompTox DTXSID6023109
FDA SRS V92SO9WP2I
Guide to Pharmacology 7459
PubChem 67204829
SureChEMBL SCHEMBL41436
ZINC ZINC00968301