Rac-trans-ketoconazole

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Catalog Number
ACM83374598
Product Name
Rac-trans-ketoconazole
Structure
Structure
CAS
83374-59-8
Category
Heterocyclic Organic Compound
Synonyms
rel-1-Acetyl-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine; trans-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine; R 44319; RS 36745;
IUPAC Name
1-[4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Molecular Weight
531.43
Molecular Formula
C26H28Cl2N4O4
Canonical SMILES
CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
InChI Key
XMAYWYJOQHXEEK-BVAGGSTKSA-N
Exact Mass
530.14900
H-Bond Acceptor
6
H-Bond Donor
0
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