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Neuroscience Information Framework (NIF) Standard Ontology
| Preferred Name | baclofen | |
| Synonyms |
baclofenum beta-(Aminomethyl)-p-chlorohydrocinnamic acid beta-(4-Chlorophenyl)gaba (+-)-Baclofen DL-Baclofen DL-4-Amino-3-p-chlorophenylbutanoic acid baclofene baclofeno 4-Amino-3-(4-chlorophenyl)butyric acid beta-(Aminomethyl)-4-chlorobenzenepropanoic acid beta-(p-Chlorophenyl)-gamma-aminobutyric acid gamma-Amino-beta-(p-chlorophenyl)butyric acid baclofen 4-amino-3-(4-chlorophenyl)butanoic acid |
|
| Definitions |
A monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2972 |
|
| alternative label |
baclofenum beta-(Aminomethyl)-p-chlorohydrocinnamic acid beta-(4-Chlorophenyl)gaba (+-)-Baclofen DL-Baclofen DL-4-Amino-3-p-chlorophenylbutanoic acid baclofene baclofeno 4-Amino-3-(4-chlorophenyl)butyric acid beta-(Aminomethyl)-4-chlorobenzenepropanoic acid beta-(p-Chlorophenyl)-gamma-aminobutyric acid gamma-Amino-beta-(p-chlorophenyl)butyric acid baclofen 4-amino-3-(4-chlorophenyl)butanoic acid
|
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D00241 CAS:1134-47-0 Beilstein:2104494 PMID:18824012 Patent:NL6407755 HMDB:HMDB0014327 DrugBank:DB00181 Reaxys:2104494 Drug_Central:282 PMID:18682277 Wikipedia:Baclofen PMID:11772961 Patent:US3471548 LINCS:LSM-5169
|
|
| definition |
A monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant.
|
|
| formula |
C10H12ClNO2
|
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_51371 |
|
| has exact synonym |
4-amino-3-(4-chlorophenyl)butanoic acid
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_51371 |
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
baclofenum beta-(Aminomethyl)-p-chlorohydrocinnamic acid beta-(4-Chlorophenyl)gaba (+-)-Baclofen DL-Baclofen DL-4-Amino-3-p-chlorophenylbutanoic acid baclofene baclofeno 4-Amino-3-(4-chlorophenyl)butyric acid beta-(Aminomethyl)-4-chlorobenzenepropanoic acid beta-(p-Chlorophenyl)-gamma-aminobutyric acid gamma-Amino-beta-(p-chlorophenyl)butyric acid baclofen
|
|
| id |
CHEBI:2972
|
|
| in_subset | ||
| inchi |
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
|
|
| inchikey |
KPYSYYIEGFHWSV-UHFFFAOYSA-N
|
|
| is tautomer of | ||
| label |
baclofen
|
|
| mass |
213.66100
|
|
| monoisotopicmass |
213.05566
|
|
| notation |
CHEBI:2972
|
|
| note |
A monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant.
|
|
| preferred label |
baclofen
|
|
| prefLabel |
baclofen
|
|
| smiles |
NCC(CC(O)=O)c1ccc(Cl)cc1
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33707 http://purl.obolibrary.org/obo/CHEBI_83403 |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |