Identité

Aclidinium Bromide

Non indiqué · C26H30BrNO4S2

01Identité

Lazychem ID	LC-77127
CAS RN	Non indiqué
PubChem CID	11519741
Molecular formula	C26H30BrNO4S2
Molecular weight	564.6 g/mol
IUPAC name	[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide
InChIKey	XLAKJQPTOJHYDR-QTQXQZBYSA-M

02Structure et stéréochimie

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

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
InChI	Non indiqué

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before 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.