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Ketoconazole

CHEBI:CHEBI_48339

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.

Chemical Information

Molecular Formula
C26H28Cl2N4O4
Molecular Mass
531.43048
Charge
0
SMILES
CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
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

Alternative Names

  • 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
6135
oboInOwl#hasDbXref
LINCS:LSM-5148
core#notation
CHEBI:48339

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
6135
oboInOwl#hasDbXref
LINCS:LSM-5148
oboInOwl#id
CHEBI:48339
core#notation
CHEBI:48339
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
BFO_0000053
http://purl.obolibrary.org/obo/DRON_00698710
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_0070547
owl#annotatedSource
t227985
owl#someValuesFrom
t3970055