Identitet

Dehydro Benidipine

Ikke angivet · C28H29N3O6

01Identitet

Lazychem ID	LC-39609
CAS RN	Ikke angivet
PubChem CID	58893137
Molecular formula	C28H29N3O6
Molecular weight	503.5 g/mol
IUPAC name	3-O-(1-benzylpiperidin-3-yl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
InChIKey	MVQDCVUGKJYBTK-UHFFFAOYSA-N

02Struktur og stereokemi

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

The parsed structure contains 4 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	4
Secondary amines	0
Tertiary amines	1

SMILES	CC1=C(C(=C(C(=N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI	Ikke angivet

03Stereochemistry

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

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 2Before 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.