Identita

Varenicline

Neuvedeno · C13H13N3

01Identita

Lazychem IDLC-49026
CAS RNNeuvedeno
PubChem CID5310966
Molecular formulaC13H13N3
Molecular weight211.26 g/mol
IUPAC name(1S,12R)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
InChIKeyJQSHBVHOMNKWFT-DTORHVGOSA-N

02Struktura a stereochemie

2D structurePubChem CID 5310966
Two-dimensional chemical structure of Varenicline
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count4
Secondary amines1
Tertiary amines0
SMILESC1[C@@H]2CNC[C@H]1C3=CC4=NC=CN=C4C=C23
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

2 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.

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

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      06Zdroje