loading...| Preferred Name |
(2S,4R)-ketoconazole |
|
| Synonyms |
1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine (2S,4R)-ketoconazole (2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine 1-ACETYL-4-(4-{[(2S,4R)-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 (2S,4R)-configuration. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_47518 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:5488107 PDBeChem:KLN |
|
| 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 (2S,4R)-configuration. |
|
| formula |
C26H28Cl2N4O4 |
|
| has_exact_synonym |
1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine (2S,4R)-ketoconazole |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE |
|
| id |
CHEBI:47518 |
|
| 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-/m1/s1 |
|
| inchikey |
XMAYWYJOQHXEEK-ZEQKJWHPSA-N |
|
| is enantiomer of | ||
| label |
(2S,4R)-ketoconazole |
|
| mass |
531.43048 |
|
| monoisotopicmass |
530.14876 |
|
| notation |
CHEBI:47518 |
|
| prefLabel |
(2S,4R)-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_47518 | CHEBI | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_47518 | BERO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_47518 | BIOMODELS | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_47518 | PHIPO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_47518 | CHEBI | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_47518 | BERO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_47518 | BIOMODELS | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_47518 | PHIPO | LOOM |