API and parent drug

Pregabalin

CAS 148553-50-8 · C8H17NO2 · 26 related records

01API identity and structure

2D structurePubChem CID 5486971
2D structure: Pregabalin, CAS 148553-50-8
Structure of Pregabalin (CAS 148553-50-8). LazyChem record. Source identity: PubChem CID 5486971. Confirm the identifiers before analytical use.Download structure image
API / medicine namePregabalin
CAS RN148553-50-8
PubChem CID5486971
Molecular formulaC8H17NO2
Molecular weight159.23 g/mol
IUPAC name((S)-3-(Aminomethyl)-5-methylhexanoic acid)
Defined stereocentres1
Unassigned stereocentres0
SMILESCC(C)C[C@@H](CC(=O)O)CN
InChINot listed
InChIKeyAYXYPKUFHZROOJ-ZETCQYMHSA-N

02Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

3 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 148553-50-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources