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

Primary Target
M1 receptor
M2 receptor
M3 receptor
M4 receptor
M5 receptor

Indications

Mesh Heading Maximum Phase Reference
Pulmonary Disease, Chronic Obstructive Phase 2 ClinicalTrials
Lung Diseases, Obstructive; Pulmonary Disease, Chronic Obstructive Phase 1/Phase 2 ClinicalTrials
Neoplasms; Urinary Bladder Neoplasms; Urologic Neoplasms Phase 4 ClinicalTrials
Parkinson Disease; Sialorrhea Phase 2 ClinicalTrials
Depression; Hyperhidrosis Phase 1 ClinicalTrials
Hypotension Phase 4 ClinicalTrials
Sialorrhea Phase 1/Phase 2 ClinicalTrials
Paralysis Phase 4 ClinicalTrials
Burns Phase 3 ClinicalTrials
Lung Diseases; Lung Diseases, Obstructive; Pulmonary Disease, Chronic Obstructive Phase 2 ClinicalTrials
Cholecystolithiasis; Cholelithiasis; Gallstones Phase 4 ClinicalTrials
Coronary Artery Disease Phase 4 ClinicalTrials
Nausea; Vomiting Phase 4 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 11693
SureChEMBL SCHEMBL41436
ZINC ZINC00968301