Identiteit

PeMetrexed EP IMpurity A

Niet vermeld · C21H23N5O6

01Identiteit

Lazychem ID	LC-34287
CAS RN	Niet vermeld
PubChem CID	139600790
Molecular formula	C21H23N5O6
Molecular weight	441.4 g/mol
IUPAC name	2-[[4-[2-(2-amino-1-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
InChIKey	JKULRGFPYBAJTE-UHFFFAOYSA-N

02Structuur en stereochemie

Two-dimensional chemical structure of PeMetrexed EP IMpurity A — 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. These statements are calculated from the published structure string.

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

SMILES	CN1C2=C(C(=CN2)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N=C1N
InChI	Niet vermeld

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

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.