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Chemical Entities of Biological Interest Ontology
| Preferred Name | trazodone | |
| Synonyms |
2-(3-[4-(3-chlorophenyl)-1-piperazinyl]propyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one trazodona trazodonum trazodone 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one Trazodone |
|
| Definitions |
An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9654 |
|
| charge |
0
|
|
| database_cross_reference |
LINCS:LSM-3580 Drug_Central:2717 Patent:US3381009 Beilstein:628010 DrugBank:DB00656 KEGG:D08626 CAS:19794-93-5 KEGG:C07156 Wikipedia:Trazodone
|
|
| definition |
An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group.
|
|
| formula |
C19H22ClN5O
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_37887 http://purl.obolibrary.org/obo/CHEBI_50949 http://purl.obolibrary.org/obo/CHEBI_35474 |
|
| has_exact_synonym |
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one Trazodone
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
2-(3-[4-(3-chlorophenyl)-1-piperazinyl]propyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one trazodona trazodonum trazodone
|
|
| id |
CHEBI:9654
|
|
| in_subset | ||
| inchi |
InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
|
|
| inchikey |
PHLBKPHSAVXXEF-UHFFFAOYSA-N
|
|
| label |
trazodone
|
|
| mass |
371.86400
|
|
| monoisotopicmass |
371.15129
|
|
| notation |
CHEBI:9654
|
|
| prefLabel |
trazodone
|
|
| smiles |
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_46845 http://purl.obolibrary.org/obo/CHEBI_83403 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46845 http://purl.obolibrary.org/obo/CHEBI_83403 |
| Delete | Subject | Author | Type | Created |
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