itraconazole

CAS:

Other names:

SMILES: CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4

Properties

MW	HBA	HBD	LogP	TPSA	Rot.	Comp.	Fsp3C	Brutto formula
705.63	9	0	5.71	104.7	11	175	0.37	C35H38Cl2N8O4

Availability

Suppliers	Supplier IDs	Storage	Storage ID	Quantity	Class	Added
			JN_262	None		Jan. 1, 2023

Bar codes

Plate barcode	Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[itraconazole]	3.72		2.0	25.0	UV spectroscopy, HPLC	Marcus E. Brewster 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[itraconazole]	1.18		4.0	25.0	UV spectroscopy, HPLC	Marcus E. Brewster 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[itraconazole]	3.28		7.0	25.0	UV spectroscopy, HPLC	Marcus E. Brewster 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[itraconazole]	1.58		2.0	25.0	UV spectroscopy, HPLC	Marcus E. Brewster 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[itraconazole]	3.40		4.0	25.0	UV spectroscopy, HPLC	Marcus E. Brewster 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[itraconazole]	0.00		7.0	25.0	UV spectroscopy, HPLC	Marcus E. Brewster 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](3).[itraconazole]	1.08		4.0	25.0	UV spectroscopy, HPLC	Marcus E. Brewster 2002
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](3).[itraconazole]	2.42		7.0	25.0	UV spectroscopy, HPLC	Marcus E. Brewster 2002

Comment