API and parent drug

Baclofen

CAS 1134-47-0 · C10H12ClNO2 · 10 related records

01API identity and structure

2D structurePubChem CID 2284
2D structure: Baclofen, CAS 1134-47-0
Structure of Baclofen (CAS 1134-47-0). LazyChem record. Source identity: PubChem CID 2284. Confirm the identifiers before analytical use.Download structure image
API / medicine nameBaclofen
CAS RN1134-47-0
PubChem CID2284
Molecular formulaC10H12ClNO2
Molecular weight213.66 g/mol
IUPAC name4-amino-3-(4-chlorophenyl)butanoic acid
Defined stereocentres0
Unassigned stereocentres1
SMILESC1=CC(=CC=C1C(CC(=O)O)CN)Cl
InChINot listed
InChIKeyKPYSYYIEGFHWSV-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

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 1134-47-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources