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> Main
CHEBI:115239 - 3-quinuclidinol
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ChEBI Ontology
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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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Molfile
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Molfile
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 (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
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
View more database links
Registry Numbers
Types
Sources
1619-34-7
CAS Registry Number
NIST Chemistry WebBook
1619-34-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
8487254
PubMed citation
ChEMBL
Last Modified
27 July 2012