flutropium (CHEBI:146214)

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CHEBI:146214 - flutropium

ChEBI ID	CHEBI:146214
ChEBI Name	flutropium
Stars
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.
Last Modified	24 February 2020
Submitter	Adnan
Downloads	Molfile

Formula	C24H29FNO3
Net Charge	+1
Average Mass	398.498
Monoisotopic Mass	398.21260
SMILES	[H][C@]12CC[C@]([H])(C[C@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C1)[N@+]2(C)CCF
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

Roles Classification

Biological Role:

muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.

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.

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.

anti-asthmatic drug A drug used to treat asthma.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
flutropium cation	ChemIDplus
flutropium ion	ChemIDplus

Manual Xrefs	Databases
1228	DrugCentral

Registry Numbers	Sources
CAS:754131-59-4	ChemIDplus

Citations