CHEBI:9622 - tolterodine

ChEBI IDCHEBI:9622
ChEBI Nametolterodine
Stars
Last Modified22 February 2017
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FormulaC22H31NO
Net Charge0
Average Mass325.496
Monoisotopic Mass325.24056
SMILESCc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=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
InChIKeyOOGJQPCLVADCPB-HXUWFJFHSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
Applications:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
renal agent  A drug used for its effect on the kidneys' regulation of body fluid composition and volume.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
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.
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.
ChEBI Ontology
Outgoing Relation(s)
tolterodine (CHEBI:9622) has functional parent p-cresol (CHEBI:17847)
tolterodine (CHEBI:9622) has role analgesic (CHEBI:35480)
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) has role renal agent (CHEBI:35846)
tolterodine (CHEBI:9622) is a tertiary amine (CHEBI:32876)
Incoming Relation(s)
tolterodine tartrate (CHEBI:32245) has part tolterodine (CHEBI:9622)
IUPAC Name 
2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol
INNs  Source
tolterodinaWHO MedNet
tolterodineWHO MedNet
toltérodineWHO MedNet
tolterodinumWHO MedNet
Synonyms  Source
(+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresolChemIDplus
KABI 2234ChEMBL
KABI-2234ChEMBL
(+)-TolterodineChemIDplus
TolterodineKEGG COMPOUND
Brand Names  Source
Blerone xlChEMBL
DetrusitolChEMBL
Detrusitol xlChEMBL
Efflosomyl xlChEMBL
Inconex xlChEMBL
Mariosea xlChEMBL
Manual XrefsDatabases
2705DrugCentral
C07750KEGG COMPOUND
D00646KEGG DRUG
DB01036DrugBank
EP325571Patent
LSM-5645LINCS
TolterodineWikipedia
US5382600Patent
Registry NumbersSources
Beilstein:8070733Beilstein
CAS:124937-51-5ChemIDplus
Citations