Ketoconazole

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Systematic / IUPAC Name: 1-[4-(4-{[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]ethanone

ID: Reference2226

Other Names: 1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;
Ketocanazole;
Ketoconazolum;
Orifungal;
Extina ; more

Formula: C26H28Cl2N4O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Ketoconazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 230
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/10/2015 8:55:31 AM
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Identificators

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
InChI Key XMAYWYJOQHXEEK-UHFFFAOYSA-N
Canonical SMILES CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
CAS 65277421
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Other Names 1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;
Ketocanazole;
Ketoconazolum;
Orifungal;
Extina;
Nizoral shampoo;
Nizoral cream;
Piperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-;
1-Acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

In Other Databases

ChEMBL CHEMBL157101
ChEBI CHEBI:48339
DrugBank DB01026
ChemSpider 3691
Wikipedia Ketoconazole
PubChem 3823