Identitet

N-Demethyltropisetron

Ikke angivet · C16H18N2O2

01Identitet

Lazychem ID	LC-36375
CAS RN	Ikke angivet
PubChem CID	102056010
Molecular formula	C16H18N2O2
Molecular weight	270.33 g/mol
IUPAC name	[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
InChIKey	LCAGVMWMARLFPS-FOSCPWQOSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of N-Demethyltropisetron — 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	1
Tertiary amines	0

SMILES	C1C[C@H]2CC(C[C@@H]1N2)OC(=O)C3=CNC4=CC=CC=C43
InChI	Ikke angivet

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.