Identität

Scopine hydrochloride

Nicht angegeben · C8H14ClNO2

01Identität

Lazychem ID	LC-101334
CAS RN	Nicht angegeben
PubChem CID	24720972
Molecular formula	C8H14ClNO2
Molecular weight	191.65 g/mol
IUPAC name	(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride
InChIKey	BBBRAOXIMQHVCR-QYRWGYAXSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Scopine hydrochloride — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O.Cl
InChI	Nicht angegeben

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

2 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.