Tunnistetiedot

CID 46782830

Ei ilmoitettu · C20H24N2O4

01Tunnistetiedot

Lazychem IDLC-40911
CAS RNEi ilmoitettu
PubChem CID46782830
Molecular formulaC20H24N2O4
Molecular weight356.4 g/mol
IUPAC name(R)-[(2S,5R)-5-ethenyl-1-oxido-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1-oxidoquinolin-1-ium-4-yl)methanol
InChIKeyBTIIQUQYRAFYJP-RMWGNABNSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 46782830
Two-dimensional chemical structure of CID 46782830
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count5
Secondary amines0
Tertiary amines0
SMILESCOC1=CC2=C(C=C[N+](=C2C=C1)[O-])[C@H]([C@@H]3CC4CC[N+]3(C[C@@H]4C=C)[O-])O
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 3 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before 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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

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Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet