Identité

Pemetrexed Impurity 39

Non indiqué · C20H21N5O8

01Identité

Lazychem ID	LC-34099
CAS RN	Non indiqué
PubChem CID	145709259
Molecular formula	C20H21N5O8
Molecular weight	459.4 g/mol
IUPAC name	(2S)-2-[[4-[2-(8-amino-4-hydroxy-10-oxo-2-oxa-5,7,9-triazatricyclo[4.4.0.01,3]deca-5,7-dien-3-yl)ethyl]benzoyl]amino]pentanedioic acid
InChIKey	XULBIWINEIWBLL-KPGKVIANSA-N

02Structure et stéréochimie

Two-dimensional chemical structure of Pemetrexed Impurity 39 — 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	0

SMILES	C1=CC(=CC=C1CCC23C(N=C4C2(O3)C(=O)NC(=N4)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI	Non indiqué

03Stereochemistry

The published structure contains 1 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres3Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

1 record

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.