CHEBI:115239 - 3-quinuclidinol

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ChEBI Name 3-quinuclidinol
ChEBI ID CHEBI:115239
Definition Quinuclidine in which a hydrogen atom at position 3 is substituted by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H13NO
Net Charge 0
Average Mass 127.18420
Monoisotopic Mass 127.09971
InChI InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChIKey IVLICPVPXWEGCA-UHFFFAOYSA-N
SMILES OC1C[N@@]2CC[C@H]1CC2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 3-quinuclidinol (CHEBI:115239) is a quinuclidines (CHEBI:26518)
3-quinuclidinol (CHEBI:115239) is a secondary alcohol (CHEBI:35681)
3-quinuclidinol (CHEBI:115239) is a tertiary amine (CHEBI:32876)
Incoming aclidinium (CHEBI:65346) has functional parent 3-quinuclidinol (CHEBI:115239)
clidinium (CHEBI:3743) has functional parent 3-quinuclidinol (CHEBI:115239)
clidinium bromide (CHEBI:3744) has functional parent 3-quinuclidinol (CHEBI:115239)
IUPAC Name
1-azabicyclo[2.2.2]octan-3-ol
Synonyms Sources
(±)-3-quinuclidinol ChEBI
1-Aza-bicyclo[2.2.2]octan-3-ol ChEMBL
3-hydroxy-1-azabicyclo[2.2.2]octane NIST Chemistry WebBook
3-hydroxyquinuclidine ChemIDplus
quinuclidin-3-ol ChemIDplus
Manual Xref Database
US2648667 Patent
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Registry Numbers Types Sources
1619-34-7 CAS Registry Number NIST Chemistry WebBook
1619-34-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
8487254 PubMed citation ChEMBL
Last Modified
27 July 2012