Identita

Deacetylketoconazole

Neuvedeno · C24H26Cl2N4O3

01Identita

Lazychem ID	LC-45078
CAS RN	Neuvedeno
PubChem CID	12854716
Molecular formula	C24H26Cl2N4O3
Molecular weight	489.4 g/mol
IUPAC name	1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
InChIKey	LOUXSEJZCPKWAX-URXFXBBRSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Deacetylketoconazole — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	5
Secondary amines	1
Tertiary amines	1

SMILES	C1CN(CCN1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
InChI	Neuvedeno

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.