ACLIDINIUM

Search structure
Synonyms:
Status: Approved (2012)
Entry Type: Small molecule
Molecule Category: Parent
UNII: K17VY42F6C

Structure
InChI Key ASMXXROZKSBQIH-VITNCHFBSA-N
Smile O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1
InChI
InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30NO4S2+
Molecular Weight 484.66
AlogP 4.67
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 55.76
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Primary Target
M3 receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 727649-81-2
ChEBI 65346
ChEMBL CHEMBL1194325
DrugBank DB08897
DrugCentral 4484
EPA CompTox DTXSID00223070
FDA SRS K17VY42F6C
Guide to Pharmacology 7449
PubChem 11434515
SureChEMBL SCHEMBL72141
ZINC ZINC000030691727
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