Aitheantas

Pemetrexed Impurity 8

Gan liostú · C19H21N5O7

01Aitheantas

Lazychem ID	LC-34579
CAS RN	Gan liostú
PubChem CID	136703979
Molecular formula	C19H21N5O7
Molecular weight	431.4 g/mol
IUPAC name	(2S)-2-[[4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-3-oxopropyl]benzoyl]amino]pentanedioic acid
InChIKey	GQMLDZYRTDSOMZ-NSHDSACASA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of Pemetrexed Impurity 8 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 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	2
Secondary amines	0
Tertiary amines	0

SMILES	C1=CC(=CC=C1CCC(=O)C2=C(N=C(NC2=O)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI	Gan liostú

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.