loading...| Preferred Name |
nefazodone |
|
| Synonyms |
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one nefazodone Nefazodone nefazodonum nefazodona 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7494 |
|
| charge |
0 |
|
| database_cross_reference |
LINCS:LSM-4031 CAS:83366-66-9 KEGG:D08257 Beilstein:4728403 KEGG:C07256 Wikipedia:Nefazodone Patent:US4338317 DrugBank:DB01149 Drug_Central:1890 |
|
| formula |
C25H32ClN5O2 |
|
| has exact synonym |
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one nefazodone Nefazodone |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50949 http://purl.obolibrary.org/obo/CHEBI_35480 http://purl.obolibrary.org/obo/CHEBI_48279 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
nefazodonum nefazodone nefazodona 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one |
|
| id |
CHEBI:7494 |
|
| in_subset | ||
| inchi |
InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3 |
|
| inchikey |
VRBKIVRKKCLPHA-UHFFFAOYSA-N |
|
| label |
nefazodone |
|
| mass |
470.00700 |
|
| monoisotopicmass |
469.22445 |
|
| notation |
CHEBI:7494 |
|
| prefLabel |
nefazodone |
|
| smiles |
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46845 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_83403 |