Preferred Name |
Ketoconazole |
|
Synonyms |
1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
|
Definitions |
A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_48339 |
|
charge |
0 |
|
database_cross_reference |
LINCS:LSM-5148 DrugBank:DB01026 Beilstein:634785 |
|
definition |
A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. |
|
formula |
C26H28Cl2N4O4 |
|
has_exact_synonym |
1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
|
has_obo_namespace |
chebi_ontology |
|
has_RxCUI |
6135 |
|
id |
CHEBI:48339 |
|
in_subset | ||
inchi |
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3 |
|
inchikey |
XMAYWYJOQHXEEK-UHFFFAOYSA-N |
|
is_bearer_of | ||
label |
Ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
|
mass |
531.43048 |
|
monoisotopicmass |
530.14876 |
|
notation |
CHEBI:48339 |
|
prefLabel |
Ketoconazole |
|
smiles |
CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46844 http://purl.obolibrary.org/obo/CHEBI_24780 http://purl.obolibrary.org/obo/CHEBI_39430 http://purl.obolibrary.org/obo/CHEBI_25698 |