Identita

Benidipine Impurity Y

Neuvedeno · C21H25N3O6

01Identita

Lazychem ID	LC-44690
CAS RN	Neuvedeno
PubChem CID	13390523
Molecular formula	C21H25N3O6
Molecular weight	415.4 g/mol
IUPAC name	3-O-methyl 5-O-piperidin-3-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey	DKQAXNFZGYGGHH-UHFFFAOYSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Benidipine Impurity Y — 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 a nitro substructure. These statements are calculated from the published structure string.

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

SMILES	CC1=C(C(C(=C(N1)C)C(=O)OC2CCCNC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI	Neuvedeno

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres2Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 4Before 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.