Identitāte

Alogliptin Impurity 12

Nav norādīts · C25H25N5O3

01Identitāte

Lazychem ID	LC-35017
CAS RN	Nav norādīts
PubChem CID	134786207
Molecular formula	C25H25N5O3
Molecular weight	443.5 g/mol
IUPAC name	N-[(3R)-1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]benzamide
InChIKey	YJMNTJGSDFBRQM-OAQYLSRUSA-N

02Struktūra un stereoķīmija

Two-dimensional chemical structure of Alogliptin Impurity 12 — 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 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)NC(=O)C4=CC=CC=C4
InChI	Nav norādīts

03Stereochemistry

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

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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.