trospium (CHEBI:145791)

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CHEBI:145791 - trospium

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ChEBI ID	CHEBI:145791
ChEBI Name	trospium
Stars
Definition	A carboxylic ester resulting from the formal condensation of the carboxy group of hydroxy(diphenyl)acetic acid with the hydroxy group of (1S,3R,5R)-3-hydroxy-8λ⁵-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium. Its chloride salt is used to treat overactive bladder.
Last Modified	17 January 2020
Submitter	Adnan
Downloads	Molfile

Formula	C25H30NO3
Net Charge	+1
Average Mass	392.519
Monoisotopic Mass	392.22202
SMILES	[H][C@]12CC[C@]([H])(C[C@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C1)[N+]21CCCC1
InChI	InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23+
InChIKey	OYYDSUSKLWTMMQ-JKHIJQBDSA-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.

ChEBI Ontology

Outgoing Relation(s)
	trospium (CHEBI:145791) has role antispasmodic drug (CHEBI:53784)
	trospium (CHEBI:145791) has role muscarinic antagonist (CHEBI:48876)
	trospium (CHEBI:145791) is a azabicycloalkane (CHEBI:38295)
	trospium (CHEBI:145791) is a carboxylic ester (CHEBI:33308)
	trospium (CHEBI:145791) is a quaternary ammonium ion (CHEBI:35267)
	trospium (CHEBI:145791) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
Incoming Relation(s)	trospium chloride (CHEBI:32270) has part trospium (CHEBI:145791)

IUPAC Name
(1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8λ⁵-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium

Synonyms	Source
(1α,3β,5α)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium]	ChEBI
tropsium cation	ChemIDplus
tropsium ion	ChEBI

Manual Xrefs	Databases
2776	DrugCentral
DB00209	DrugBank
HMDB0014354	HMDB

Registry Numbers	Sources
CAS:47608-32-2	ChemIDplus

Citations