Идентичност

Barnidipine Impurity 3

Не е посочено · C27H29N3O6

01Идентичност

Lazychem ID	LC-41526
CAS RN	Не е посочено
PubChem CID	29941945
Molecular formula	C27H29N3O6
Molecular weight	491.5 g/mol
IUPAC name	5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey	VXMOONUMYLCFJD-WIOPSUGQSA-N

02Структура и стереохимия

Two-dimensional chemical structure of Barnidipine Impurity 3 — 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, has 2 defined stereocentres, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	1
Tertiary amines	1

SMILES	CC1=C([C@H](C(=C(N1)C)C(=O)O[C@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI	Не е посочено

03Stereochemistry

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

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

4 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.