The Drug Ontology

Last uploaded: February 15, 2019
Preferred Name

Ketoconazole

Synonyms

InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

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

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

CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

C26H28Cl2N4O4

Definitions

A dioxolane that has formula C26H28Cl2N4O4.

ID

http://purl.obolibrary.org/obo/CHEBI_48339

database_cross_reference

Beilstein:634785

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_related_synonym

InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

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

CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

C26H28Cl2N4O4

has_RxCUI

6135

id

CHEBI:48339

is_bearer_of

http://purl.obolibrary.org/obo/DRON_00698710

label

Ketoconazole

ketoconazole

notation

CHEBI:48339

prefixIRI

CHEBI:48339

prefLabel

Ketoconazole

textual definition

A dioxolane that has formula C26H28Cl2N4O4.

subClassOf

http://purl.obolibrary.org/obo/CHEBI_46848

http://purl.obolibrary.org/obo/CHEBI_39430

http://purl.obolibrary.org/obo/CHEBI_36683

http://purl.obolibrary.org/obo/CHEBI_24780

http://purl.obolibrary.org/obo/CHEBI_46917

http://purl.obolibrary.org/obo/CHEBI_25698

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http://purl.bioontology.org/ontology/SNOMEDCT/387216007 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/RXNORM/6135 RXNORM LOOM
http://purl.bioontology.org/ontology/UATC/J02AB02 ATC LOOM
http://purl.bioontology.org/ontology/UATC/G01AF11 ATC LOOM
http://purl.bioontology.org/ontology/LNC/MTHU002299 LOINC LOOM
http://purl.obolibrary.org/obo/CHEBI_47519 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_47519 NBO LOOM
http://purl.obolibrary.org/obo/CHEBI_47519 CHEBI LOOM
http://purl.bioontology.org/ontology/NDDF/002903 NDDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D007654 RH-MESH LOOM
http://purl.bioontology.org/ontology/RCD/x02Lx RCD LOOM
http://purl.bioontology.org/ontology/MESH/D007654 MESH LOOM
http://purl.jp/bio/4/id/200906042931697847 IOBC LOOM
http://purl.obolibrary.org/obo/dinto_DB01026 DINTO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.383.606.560 RH-MESH LOOM
http://purl.bioontology.org/ontology/LNC/LP15862-3 LOINC LOOM
http://purl.bioontology.org/ontology/CSP/1549-4550 CRISP LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C605 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C605 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C605 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C605 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C605 NCIT LOOM
http://purl.bioontology.org/ontology/SNMI/C-52B50 SNMI LOOM
http://purl.obolibrary.org/obo/CHEBI_48339 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_48339 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_48339 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_48339 NBO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_48339 DIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_48339 DIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_48339 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_48339 NIFSTD SAME_URI
http://purl.bioontology.org/ontology/UATC/D01AC08 ATC LOOM
http://www.bioassayontology.org/bao#BAO_0000796 BAO LOOM
http://purl.bioontology.org/ontology/VANDF/4019271 VANDF LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000039488 PDQ LOOM
http://www.co-ode.org/ontologies/galen#Ketoconazole GALEN LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/40232005 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147470 NDFRT LOOM