Identiteet

Mirogabalin Impurity EDHA

Pole loetletud · C12H19NO2

01Identiteet

Lazychem ID	LC-36189
CAS RN	Pole loetletud
PubChem CID	118283367
Molecular formula	C12H19NO2
Molecular weight	209.28 g/mol
IUPAC name	2-[(1S,3E,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid
InChIKey	FBSACHKNXHBRMU-JCKKZLPESA-N

02Struktuur ja stereokeemia

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

The parsed structure contains 2 rings, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	C/C=C/1\C[C@H]2C[C@]([C@H]2C1)(CC(=O)O)CN
InChI	Pole loetletud

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

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.