Azonosítás

Quinine

Nincs megadva · C20H24N2O2

01Azonosítás

Lazychem IDLC-49603
CAS RNNincs megadva
PubChem CID3034034
Molecular formulaC20H24N2O2
Molecular weight324.4 g/mol
IUPAC name(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
InChIKeyLOUPRKONTZGTKE-WZBLMQSHSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 3034034
Two-dimensional chemical structure of Quinine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCOC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
InChINincs megadva

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

3 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.

04Indiai státusz

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

05Nevek és kapcsolatok

API és anyavegyület

Nincs megadva

Nevek és kapcsolatok

    Szennyezők és rokon vegyületek

      06Források