CHEBI:347401 - pentolinium ion

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ChEBI Name pentolinium ion
ChEBI ID CHEBI:347401
Definition A dication whose structure comprises a pentane backbone linking two 1-methylpyrrolidinium groups; a nicotinic antagonist used as a ganglionic blocking agent in hypertension.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H32N2
Net Charge +2
Average Mass 240.42800
Monoisotopic Mass 240.25545
InChI InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2
InChIKey XSBSKEQEUFOSDD-UHFFFAOYSA-N
SMILES C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
ChEBI Ontology
Outgoing pentolinium ion (CHEBI:347401) has part pyrrolidinium ion (CHEBI:52145)
pentolinium ion (CHEBI:347401) is a organic cation (CHEBI:25697)
Incoming pentolinium tartrate (CHEBI:55326) has part pentolinium ion (CHEBI:347401)
IUPAC Name
1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium)
Synonyms Sources
pentolineum ChEBI
Pentolonium ChemIDplus
Pentolonum ChemIDplus
Manual Xrefs Databases
2096 DrugCentral
DB01090 DrugBank
LSM-5561 LINCS
Pentolinium Wikipedia
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Registry Numbers Types Sources
144-44-5 CAS Registry Number ChemIDplus
3905671 Beilstein Registry Number Beilstein
Last Modified
22 February 2017