Identität

Pemetrexed Impurity 124

Nicht angegeben · C20H19N5Na2O6

01Identität

Lazychem ID	LC-34543
CAS RN	Nicht angegeben
PubChem CID	137267375
Molecular formula	C20H19N5Na2O6
Molecular weight	471.4 g/mol
IUPAC name	disodium;(2R)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
InChIKey	NYDXNILOWQXUOF-FFXKMJQXSA-L

02Struktur und Stereochemie

Two-dimensional chemical structure of Pemetrexed Impurity 124 — 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, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI	Nicht angegeben

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.