Preferred Name |
ipratropium |
|
Synonyms |
Ipratropium (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_5956 |
|
charge |
+1 |
|
database_cross_reference |
KEGG:C07052 Beilstein:10733804 CAS:60205-81-4 Beilstein:5881723 |
|
formula |
C20H30NO3 |
|
has_exact_synonym |
Ipratropium (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane |
|
has_obo_namespace |
chebi_ontology |
|
id |
CHEBI:5956 |
|
in_subset | ||
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 |
|
label |
ipratropium |
|
mass |
332.45714 |
|
monoisotopicmass |
332.22202 |
|
notation |
CHEBI:5956 |
|
prefLabel |
ipratropium |
|
smiles |
[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_37332 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37332 |
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