Identiteet

Atropine methylbromide

Pole loetletud · C18H26BrNO3

01Identiteet

Lazychem ID	LC-53835
CAS RN	Pole loetletud
PubChem CID	17882
Molecular formula	C18H26BrNO3
Molecular weight	384.3 g/mol
IUPAC name	(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide
InChIKey	XMLNCADGRIEXPK-UHFFFAOYSA-M

02Struktuur ja stereokeemia

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

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

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

SMILES	C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]
InChI	Pole loetletud

03Stereochemistry

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

Defined centres0Structure assigned

Unassigned centres3Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 8Before 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.