(S)-Tolterodine
Basic information
- CAS
124937-53-7- Standard SMILES
Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1- InChIKey
OOGJQPCLVADCPB-FQEVSTJZSA-N- Molecular formula
- C22H31NO
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.24056461
Names & identifiers
- Preferred name
- (S)-Tolterodine
- IUPAC
- 2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
- English name
- S-(-)-Tolterodine
- Molecular formula
- C22H31NO
- Molecular weight
- 325.49
Names & synonyms
(s)-tolterodine124937-53-7UWD7V7S6JTTolterodine tartrate impurity F [EP]2-((1S)-3-(Bis(1-methylethyl)amino)-1-phenylpropyl)-4-methylphenolPhenol, 2-((1S)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-Phenol, 2-(3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-, (S)-Phenol, 2-[(1S)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-TOLTERODINE TARTRATE IMPURITY F [EP IMPURITY]TOLTERODINE TARTRATE IMPURITY F (EP IMPURITY)RefChem:196603Tolterodine tartrate impurity F
Show more names
(S)-TolterodinTolterodine IMpurityTolterodine S-Isomer ImpurityTolterodine Impurity 6 MonomerTolterodine Tartrate EP Impurity F2-[(1S)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-phenol
2-[(1S)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenolUNII-UWD7V7S6JTS-(-)-Tolterodine2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol(S)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenolTolterodine EP Impurity FSCHEMBL36882(R)-(+)-Tolterodine;(+)-Tolterodine;(R)-Tolterodine;PNU-200583
Database identifiers
- CAS
124937-53-7- PubChem CID
- 60774
- UNII
- UWD7V7S6JT
- Nikkaji
- J2.360.530I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 442.175 · 442.175±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.004 · 1.004±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.128 · 10.128±0.48(predicted)
- FDA UNII
- 7 V7S6JT · UWD7V7S6JT
Chemistry & industry
Applications
UsesS-(-)-Tolterodine is a muscarinic receptor antagonist,it is used in the treatment of urinary incontinence.
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Compound notes
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