API and parent drug

Selegiline Hydrochloride

CAS 14611-52-0 · C13H18ClN · 0 related records

01API identity and structure

2D structurePubChem CID 26758
2D structure: Selegiline Hydrochloride, CAS 14611-52-0
Structure of Selegiline Hydrochloride (CAS 14611-52-0). LazyChem record. Source identity: PubChem CID 26758. Confirm the identifiers before analytical use.Download structure image
API / medicine nameSelegiline Hydrochloride
CAS RN14611-52-0
PubChem CID26758
Molecular formulaC13H18ClN
Molecular weight223.74 g/mol
IUPAC name(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochloride
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@H](CC1=CC=CC=C1)N(C)CC#C.Cl
InChINot listed
InChIKeyIYETZZCWLLUHIJ-UTONKHPSSA-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

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 14611-52-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources