Structure

InChI Key OEXHQOGQTVQTAT-BHIXFJMTSA-N
Smile CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
InChI
InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30NO3+
Molecular Weight 332.46
AlogP 2.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Primary Target
M3 receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Status Asthmaticus 1 D013224 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 60205-81-4
ChEMBL CHEMBL1621597
DrugBank DB00332
DrugCentral 1475
EPA CompTox DTXSID9048437
FDA SRS GR88G0I6UL
Guide to Pharmacology 325
KEGG C07052
SureChEMBL SCHEMBL7862886