ketoconazole

CAS:
Other names:
SMILES: CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2

Properties

MW HBA HBD LogP TPSA Rot. Comp. Fsp3C Brutto formula
531.43 7 0 4.21 69.06 8 151 0.38 C26H28Cl2N4O4

Availability

Suppliers Supplier IDs Storage Storage ID Quantity Class Added
SF_C708 None Jan. 1, 2023

Bar codes

Plate barcode Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[ketoconazole] 3.97 2.30 6.0 25.0 UV-vis spectroscopy Joanna Taraszewska 2005
[g-Cyclodextrin](1).[ketoconazole] 2.93 1.48 6.0 25.0 UV-vis spectroscopy Joanna Taraszewska 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ketoconazole] 3.81 2.48 6.0 25.0 UV-vis spectroscopy Joanna Taraszewska 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ketoconazole] 3.93 2.60 6.0 20.0 UV-vis spectroscopy Joanna Taraszewska 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ketoconazole] 3.57 2.48 6.0 35.0 UV-vis spectroscopy Joanna Taraszewska 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ketoconazole] 3.41 2.48 6.0 45.0 UV-vis spectroscopy Joanna Taraszewska 2005
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[ketoconazole] 4.16 2.54 6.0 25.0 UV-vis spectroscopy Joanna Taraszewska 2005
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[ketoconazole] 4.42 3.15 5.0 25.0 UV-vis spectroscopy Joanna Taraszewska 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[ketoconazole] 4.38 2.70 6.0 25.0 UV-vis spectroscopy Joanna Taraszewska 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[ketoconazole] 3.54 2.18 5.0 25.0 UV-vis spectroscopy Joanna Taraszewska 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[ketoconazole] 4.48 3.00 6.0 20.0 UV-vis spectroscopy Joanna Taraszewska 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[ketoconazole] 4.18 2.70 6.0 35.0 UV-vis spectroscopy Joanna Taraszewska 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[ketoconazole] 4.06 2.30 6.0 45.0 UV-vis spectroscopy Joanna Taraszewska 2005
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[ketoconazole] 2.73 1.48 6.0 25.0 UV-vis spectroscopy Joanna Taraszewska 2005
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