Fesoterodine fumarateProduct ingredient for Fesoterodine

Name
Fesoterodine fumarate
Drug Entry
Fesoterodine

Fesoterodine is an antimuscarinic prodrug for the treatment of overactive bladder syndrome.

Accession Number
DBSALT000085
Structure
Synonyms
Fesoterodine fumarate
External IDs
SPM 8272 / SPM 907
UNII
EOS72165S7
CAS Number
286930-03-8
Weight
Average: 527.649
Monoisotopic: 527.288302671
Chemical Formula
C30H41NO7
InChI Key
MWHXMIASLKXGBU-RNCYCKTQSA-N
InChI
InChI=1S/C26H37NO3.C4H4O4/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6;5-3(6)1-2-4(7)8/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t23-;/m1./s1
IUPAC Name
(2E)-but-2-enedioic acid; 2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl 2-methylpropanoate
SMILES
[H]\C(=C(\[H])C(O)=O)C(O)=O.[H][C@@](CCN(C(C)C)C(C)C)(C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1
PubChem Compound
9849808
ChemSpider
8025521
BindingDB
50248002
ChEMBL
CHEMBL1201765
Wikipedia
Fesoterodine
Predicted Properties
PropertyValueSource
Water Solubility0.00205 mg/mLALOGPS
logP5.45ALOGPS
logP5.7Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)14.98Chemaxon
pKa (Strongest Basic)10.64Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area49.77 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity124.08 m3·mol-1Chemaxon
Polarizability48.32 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon