Structure

InChI Key OYYDSUSKLWTMMQ-JKHIJQBDSA-N
Smile O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23+

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30NO3+
Molecular Weight 392.52
AlogP 3.77
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 2.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Overactive 1 D053201 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
CAS NUMBER 47608-32-2
ChEBI 145791
ChEMBL CHEMBL1888176
DrugBank DB00209
DrugCentral 2776
EPA CompTox DTXSID6048337
FDA SRS T4Y8ORK057
Guide to Pharmacology 7480
PubChem 5284632
SureChEMBL SCHEMBL2447242
ZINC ZINC000100016084