API and parent drug

Mesterolone

CAS 1424-00-6 · C20H32O2 · 1 related records

01API identity and structure

2D structurePubChem CID 15020
2D structure: Mesterolone, CAS 1424-00-6
Structure of Mesterolone (CAS 1424-00-6). LazyChem record. Source identity: PubChem CID 15020. Confirm the identifiers before analytical use.Download structure image
API / medicine nameMesterolone
CAS RN1424-00-6
PubChem CID15020
Molecular formulaC20H32O2
Molecular weight304.5 g/mol
IUPAC name(1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Defined stereocentres8
Unassigned stereocentres0
SMILESC[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C
InChINot listed
InChIKeyUXYRZJKIQKRJCF-TZPFWLJSSA-N

02Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres82D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 1424-00-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources