API and parent drug

Reboxetine

CAS 71620-89-8 · C19H23NO3 · 2 related records

01API identity and structure

2D structurePubChem CID 127151
2D structure: Reboxetine, CAS 71620-89-8
Structure of Reboxetine (CAS 71620-89-8). LazyChem record. Source identity: PubChem CID 127151. Confirm the identifiers before analytical use.Download structure image
API / medicine nameReboxetine
CAS RN71620-89-8
PubChem CID127151
Molecular formulaC19H23NO3
Molecular weight313.4 g/mol
IUPAC name(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
Defined stereocentres2
Unassigned stereocentres0
SMILESCCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3
InChINot listed
InChIKeyCBQGYUDMJHNJBX-RTBURBONSA-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

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 71620-89-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources