API and parent drug

Clemastine

CAS 15686-51-8 · C21H26ClNO · 7 related records

01API identity and structure

2D structurePubChem CID 26987
2D structure: Clemastine, CAS 15686-51-8
Structure of Clemastine (CAS 15686-51-8). LazyChem record. Source identity: PubChem CID 26987. Confirm the identifiers before analytical use.Download structure image
API / medicine nameClemastine
CAS RN15686-51-8
PubChem CID26987
Molecular formulaC21H26ClNO
Molecular weight343.9 g/mol
IUPAC name(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
Defined stereocentres2
Unassigned stereocentres0
SMILESC[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C
InChINot listed
InChIKeyYNNUSGIPVFPVBX-NHCUHLMSSA-N

02Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

5 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 15686-51-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources