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:

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.

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.

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