Identiteet

Pemetrexed Impurity 36

Pole loetletud · C22H25N5O6

01Identiteet

Lazychem ID	LC-33477
CAS RN	Pole loetletud
PubChem CID	163197354
Molecular formula	C22H25N5O6
Molecular weight	455.5 g/mol
IUPAC name	(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid
InChIKey	RDFCBNQHUWRWRC-HNNXBMFYSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Pemetrexed Impurity 36 — 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	CCOC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)NC(=N3)N
InChI	Pole loetletud

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

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.