Deacetylketoconazole

01Aitheantas

Lazychem ID	LC-45078
CAS RN	Gan liostú
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

02Struchtúr agus steiréicheimic

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

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	Gan liostú

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.

CAS not listed

LOUXSEJZCPKWAX-URXFXBBRSA-N

Current configuration

Ketoconazole EP Impurity D/ Ketoconazole BP Impurity D/ N-Desacetyl Ketonazole

CAS 67914-61-8

LOUXSEJZCPKWAX-UHFFFAOYSA-N

0 defined, 2 unassigned centres

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stádas san India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

Deacetylketoconazole

01Aitheantas

02Struchtúr agus steiréicheimic

03Stereochemistry

Published same-connectivity configurations