Tunnistetiedot

Desfluoro Cabastine

Ei ilmoitettu · C26H30N2O2

01Tunnistetiedot

Lazychem ID	LC-33664
CAS RN	Ei ilmoitettu
PubChem CID	155922984
Molecular formula	C26H30N2O2
Molecular weight	402.5 g/mol
IUPAC name	(3S,4R)-1-(4-cyano-4-phenylcyclohexyl)-3-methyl-4-phenylpiperidine-4-carboxylic acid
InChIKey	SACWPKNNCWGCEU-UOATUGCDSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Desfluoro Cabastine — 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 stereocentres	2
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=CC=C4
InChI	Ei ilmoitettu

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.