Tapatybė

Pinaverium Impurity 4

Nenurodyta · C26H41Br2NO4

01Tapatybė

Lazychem ID	LC-34065
CAS RN	Nenurodyta
PubChem CID	145721938
Molecular formula	C26H41Br2NO4
Molecular weight	591.4 g/mol
IUPAC name	4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium bromide
InChIKey	IKGXLCMLVINENI-QOXGANSBSA-M

02Struktūra ir stereochemija

Two-dimensional chemical structure of Pinaverium Impurity 4 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CC1([C@H]2CC[C@H]([C@@H]1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]
InChI	Nenurodyta

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

3 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.