CHEBI:146214 - flutropium

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ChEBI Name flutropium
ChEBI ID CHEBI:146214
Definition A carboxylic ester resulting from the formal condensation of the carboxy group of hydroxy(diphenyl)acetic acid with the hydroxy group of (3-endo,8-syn)-8-(2-fluoroethyl)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane. Its bromide salt is used as a drug for the treatment asthma and chronic obstructive pulmonary disease.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H29FNO3
Net Charge +1
Average Mass 398.498
Monoisotopic Mass 398.21260
InChI InChI=1S/C24H29FNO3/c1-26(15-14-25)20-12-13-21(26)17-22(16-20)29-23(27)24(28,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22,28H,12-17H2,1H3/q+1/t20-,21+,22+,26+
InChIKey OATDVDIMNNZTEY-DAXLTYESSA-N
SMILES [N@+]1([C@]2(C[C@H](OC(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)=O)C[C@@]1(CC2)[H])[H])(CCF)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.
anti-asthmatic drug
A drug used to treat asthma.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing flutropium (CHEBI:146214) has role anti-asthmatic drug (CHEBI:49167)
flutropium (CHEBI:146214) has role antispasmodic drug (CHEBI:53784)
flutropium (CHEBI:146214) has role muscarinic antagonist (CHEBI:48876)
flutropium (CHEBI:146214) is a azabicycloalkane (CHEBI:38295)
flutropium (CHEBI:146214) is a carboxylic ester (CHEBI:33308)
flutropium (CHEBI:146214) is a organofluorine compound (CHEBI:37143)
flutropium (CHEBI:146214) is a quaternary ammonium ion (CHEBI:35267)
flutropium (CHEBI:146214) is a tertiary alcohol (CHEBI:26878)
Incoming flutropium bromide (CHEBI:31630) has part flutropium (CHEBI:146214)
IUPAC Name
(3-endo,8-syn)-8-(2-fluoroethyl)-3-{[hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane
Synonyms Sources
flutropium cation ChemIDplus
flutropium ion ChemIDplus
Manual Xref Database
1228 DrugCentral
View more database links
Registry Number Type Source
754131-59-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1677436 PubMed citation Europe PMC
1968028 PubMed citation Europe PMC
2431695 PubMed citation Europe PMC
2453423 PubMed citation Europe PMC
2567689 PubMed citation Europe PMC
3778552 PubMed citation Europe PMC
3778553 PubMed citation Europe PMC
9493450 PubMed citation Europe PMC
Last Modified
24 February 2020