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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5956 - ipratropium
Main
ChEBI Ontology
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ChEBI Name
ipratropium
ChEBI ID
CHEBI:5956
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
ChemicalBook:CB0350572
,
ZINC000000519823
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Formula
C20H30NO3
Net Charge
+1
Average Mass
332.45714
Monoisotopic Mass
332.22202
InChI
InChI=1S/C20H30NO3/c1-
14(2)
21(3)
16-
9-
10-
17(21)
12-
18(11-
16)
24-
20(23)
19(13-
22)
15-
7-
5-
4-
6-
8-
15/h4-
8,14,16-
19,22H,9-
13H2,1-
3H3/q+1/t16-
,17+,18+,19?,21+
InChIKey
OEXHQOGQTVQTAT-JRNQLAHRSA-N
SMILES
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ipratropium (
CHEBI:5956
)
is a
propanoate ester (
CHEBI:36243
)
ipratropium (
CHEBI:5956
)
is a
quaternary ammonium ion (
CHEBI:35267
)
ipratropium (
CHEBI:5956
)
is a
tropane alkaloid (
CHEBI:37332
)
Incoming
ipratropium bromide (
CHEBI:46659
)
has part
ipratropium (
CHEBI:5956
)
ipratropium chloride (
CHEBI:553542
)
has part
ipratropium (
CHEBI:5956
)
IUPAC Name
(3-
endo
,8-
syn
)-
3-
[(3-
hydroxy-
2-
phenylpropanoyl)oxy]-
8-
isopropyl-
8-
methyl-
8-
azoniabicyclo[3.2.1]octane
Synonym
Source
Ipratropium
KEGG COMPOUND
Manual Xref
Database
C07052
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
10733804
Beilstein Registry Number
Beilstein
5881723
Beilstein Registry Number
Beilstein
60205-81-4
CAS Registry Number
ChemIDplus
Last Modified
22 February 2017