Identita

(S)-Desmethyl Buscopan

Neuvedeno · C20H27NO4

01Identita

Lazychem ID	LC-37879
CAS RN	Neuvedeno
PubChem CID	71776635
Molecular formula	C20H27NO4
Molecular weight	345.4 g/mol
IUPAC name	[(1R,2R,4S,5S)-9-butyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
InChIKey	YVEVAAHLEQKBBW-PILCYTHLSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of (S)-Desmethyl Buscopan — 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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	CCCCN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI	Neuvedeno

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.