Structure

InChI Key RXZMMZZRUPYENV-VROPFNGYSA-N
Smile O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
InChI
InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H32N2O6
Molecular Weight 480.56
AlogP 3.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 32.78
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M2 antagonist ISBN PubMed PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Hyperplasia 3 D011470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32151
ChEMBL CHEMBL1200803
FDA SRS KKA5DLD701
PharmGKB PA164783810
SureChEMBL SCHEMBL109333