API and parent drug

Miconazole

CAS 22916-47-8 · C18H14Cl4N2O · 16 related records

01API identity and structure

2D structurePubChem CID 4189
2D structure: Miconazole, CAS 22916-47-8
Structure of Miconazole (CAS 22916-47-8). LazyChem record. Source identity: PubChem CID 4189. Confirm the identifiers before analytical use.Download structure image
API / medicine nameMiconazole
CAS RN22916-47-8
PubChem CID4189
Molecular formulaC18H14Cl4N2O
Molecular weight416.1 g/mol
IUPAC name1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
Defined stereocentres0
Unassigned stereocentres1
SMILESC1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChINot listed
InChIKeyBYBLEWFAAKGYCD-UHFFFAOYSA-N

02Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 22916-47-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources