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Chemical structure of Ketoconazole

GC17337

Ketoconazole

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

A triazole antifungal agent

ChemicalCAS65277-42-1MW531.43FormulaC26H28Cl2N4O4
CAS number
65277-42-1
Molecular weight
531.43
Formula
C26H28Cl2N4O4
Solubility
≥ 23·4 mg/mL in DMSO, ≥ 10 mg/mL in EtOH with ultrasonic
InChIKey
XMAYWYJOQHXEEK-ZEQKJWHPSA-N
Catalogue number
GC17337
Brand
GLPBIO
Computed properties PubChem CID 47576 · XLogP 4.3 · TPSA 69.1 Ų · H-bond donors 0
XLogP
4.3
TPSA
69.1 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36

SMILES CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

Computed descriptors from PubChem (CID 47576), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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