ketoconazole

1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

CAS: 65277-42-1

Molecular Formula	`C26H28Cl2N4O4`
Molecular Weight	531.4 g/mol
LogP	4.3
Topological Polar Surface Area	69.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	530.14874
Heavy Atoms	36
Complexity	735.0

Chemical Identifiers

CAS Number	65277-42-1
SMILES	`CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl`
InChIKey	`XMAYWYJOQHXEEK-ZEQKJWHPSA-N`

📖 Product Overview

ketoconazole (CAS: 65277-42-1) is a chemical compound with molecular formula C26H28Cl2N4O4 and molecular weight 531.4 g/mol. Its IUPAC systematic name is 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone. LogP 4.3 Topological Polar Surface Area 69.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 530.14874 Heavy Atoms 36 Complexity 735.0 InChI Key: XMAYWYJOQHXEEK-ZEQKJWHPSA-N. SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl.

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