Tolterodine tartrateProduct ingredient for Tolterodine

Name
Tolterodine tartrate
Drug Entry
Tolterodine

Tolterodine is an antimuscarinic drug that is used to treat urinary incontinence. Tolterodine acts on M2 and M3 subtypes of muscarinic receptors.

Accession Number
DBSALT000467
Structure
Synonyms
Tolterodine tartrate
External IDs
PNU 200583E / PNU-200583E
UNII
5T619TQR3R
CAS Number
124937-52-6
Weight
Average: 475.5745
Monoisotopic: 475.257002543
Chemical Formula
C26H37NO7
InChI Key
TWHNMSJGYKMTRB-KXYUELECSA-N
InChI
InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;1-,2-/m11/s1
IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
SMILES
[H][C@](O)(C(O)=O)[C@@]([H])(O)C(O)=O.[H][C@@](CCN(C(C)C)C(C)C)(C1=CC=CC=C1)C1=C(O)C=CC(C)=C1
PubChem Compound
443878
ChemSpider
391966
ChEMBL
CHEMBL1200871
Wikipedia
Tolterodine
Predicted Properties
PropertyValueSource
Water Solubility0.00534 mg/mLALOGPS
logP5.39ALOGPS
logP5.12Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)10.28Chemaxon
pKa (Strongest Basic)11.01Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity103.96 m3·mol-1Chemaxon
Polarizability39.53 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon