Identita

Reboxetine

Neuvedeno · C19H23NO3

01Identita

Lazychem IDLC-115219
CAS RNNeuvedeno
PubChem CID127151
Molecular formulaC19H23NO3
Molecular weight313.4 g/mol
IUPAC name(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
InChIKeyCBQGYUDMJHNJBX-RTBURBONSA-N

02Struktura a stereochemie

2D structurePubChem CID 127151
Two-dimensional chemical structure of Reboxetine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count3
Secondary amines1
Tertiary amines0
SMILESCCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3
InChINeuvedeno

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
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.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

API a mateřské léčivo

Neuvedeno

Názvy a vztahy

    Nečistoty a související sloučeniny

      06Zdroje