CHEBI:9622 - tolterodine

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ChEBI Name tolterodine
ChEBI ID CHEBI:9622
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H31NO
Net Charge 0
Average Mass 325.48760
Monoisotopic Mass 325.241
InChI InChI=1S/C22H31NO/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/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
InChIKey OOGJQPCLVADCPB-HXUWFJFHSA-N
SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Roles Classification
Biological Role(s): muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application(s): muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
antispasmodic drug
A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
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ChEBI Ontology
Outgoing tolterodine (CHEBI:9622) has functional parent p-cresol (CHEBI:17847)
tolterodine (CHEBI:9622) has role antispasmodic drug (CHEBI:53784)
tolterodine (CHEBI:9622) has role muscarinic antagonist (CHEBI:48876)
tolterodine (CHEBI:9622) has role muscle relaxant (CHEBI:51371)
tolterodine (CHEBI:9622) is a tertiary amine (CHEBI:32876)
Incoming tolterodine tartrate (CHEBI:32245) has part tolterodine (CHEBI:9622)
IUPAC Name
2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol
INNs Sources
tolterodina WHO MedNet
toltérodine WHO MedNet
tolterodine WHO MedNet
tolterodinum WHO MedNet
Synonyms Sources
(+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol ChemIDplus
(+)-Tolterodine ChemIDplus
Tolterodine KEGG COMPOUND
Database Links Databases
2705 DrugCentral
C07750 KEGG COMPOUND
D00646 KEGG DRUG
DB01036 DrugBank
EP325571 Patent
LSM-5645 LINCS
Tolterodine Wikipedia
US5382600 Patent
View more database links
Registry Numbers Types Sources
124937-51-5 CAS Registry Number ChemIDplus
8070733 Beilstein Registry Number Beilstein
Last Modified
22 February 2017