Tapatybė

Aponorscopolamine

Nenurodyta · C16H19NO4

01Tapatybė

Lazychem ID	LC-45475
CAS RN	Nenurodyta
PubChem CID	12247549
Molecular formula	C16H19NO4
Molecular weight	289.33 g/mol
IUPAC name	[(1S,2S,4R,5R)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
InChIKey	MOYZEMOPQDTDHA-ZOONQSOGSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Aponorscopolamine — 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 4 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	C1[C@@H]2[C@@H]3[C@@H](O3)[C@@H](N2)CC1OC(=O)C(CO)C4=CC=CC=C4
InChI	Nenurodyta

03Stereochemistry

The published structure contains 4 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.