API and parent drug

Dapoxetine Hydrochloride

CAS 129938-20-1 · C21H24ClNO · 0 related records

01API identity and structure

2D structurePubChem CID 71352
2D structure: Dapoxetine Hydrochloride, CAS 129938-20-1
Structure of Dapoxetine Hydrochloride (CAS 129938-20-1). LazyChem record. Source identity: PubChem CID 71352. Confirm the identifiers before analytical use.Download structure image
API / medicine nameDapoxetine Hydrochloride
CAS RN129938-20-1
PubChem CID71352
Molecular formulaC21H24ClNO
Molecular weight341.9 g/mol
IUPAC name(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine;hydrochloride
Defined stereocentres1
Unassigned stereocentres0
SMILESCN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.Cl
InChINot listed
InChIKeyIHWDIQRWYNMKFM-BDQAORGHSA-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 129938-20-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources