Preferred Name |
(2R,4S)-ketoconazole |
|
Synonyms |
1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine (2R,4S)-ketoconazole (2R,4S)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
|
Definitions |
A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_48336 |
|
charge |
0 |
|
database_cross_reference |
Beilstein:4241048 PDBeChem:KKK Reaxys:4241048 LINCS:LSM-5430 |
|
definition |
A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration. |
|
formula |
C26H28Cl2N4O4 |
|
has_exact_synonym |
1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine (2R,4S)-ketoconazole |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
(2R,4S)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
|
id |
CHEBI:48336 |
|
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/t23-,26-/m0/s1 |
|
inchikey |
XMAYWYJOQHXEEK-OZXSUGGESA-N |
|
is enantiomer of | ||
label |
(2R,4S)-ketoconazole |
|
mass |
531.43100 |
|
monoisotopicmass |
530.14876 |
|
notation |
CHEBI:48336 |
|
prefLabel |
(2R,4S)-ketoconazole |
|
smiles |
CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |
|
subClassOf |
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://purl.obolibrary.org/obo/CHEBI_48336 | CHEBI | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_48336 | BERO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_48336 | BIOMODELS | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_48336 | PHIPO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_48336 | CHEBI | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_48336 | BERO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_48336 | BIOMODELS | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_48336 | PHIPO | LOOM |