API and parent drug

Megestrol Acetate

CAS 595-33-5 · C24H32O4 · 8 related records

01API identity and structure

2D structurePubChem CID 11683
2D structure: Megestrol Acetate, CAS 595-33-5
Structure of Megestrol Acetate (CAS 595-33-5). LazyChem record. Source identity: PubChem CID 11683. Confirm the identifiers before analytical use.Download structure image
API / medicine nameMegestrol Acetate
CAS RN595-33-5
PubChem CID11683
Molecular formulaC24H32O4
Molecular weight384.5 g/mol
IUPAC name[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Defined stereocentres6
Unassigned stereocentres0
SMILESCC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
InChINot listed
InChIKeyRQZAXGRLVPAYTJ-GQFGMJRRSA-N

02Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 595-33-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources