Identiteit

(-)-Selagine

Niet vermeld · C15H18N2O

01Identiteit

Lazychem IDLC-107395
CAS RNNiet vermeld
PubChem CID449069
Molecular formulaC15H18N2O
Molecular weight242.32 g/mol
IUPAC name(1R,9R)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
InChIKeyZRJBHWIHUMBLCN-ZUZCIYMTSA-N

02Structuur en stereochemie

2D structurePubChem CID 449069
Two-dimensional chemical structure of (-)-Selagine
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 amines0
Tertiary amines0
SMILESCC=C1[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3
InChINiet vermeld

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

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.

04Status in India

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

05Namen en relaties

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      06Bronnen