Identität

Calcium Levofolinate Impurity 22

Nicht angegeben · C19H21N7O6

01Identität

Lazychem ID	LC-34583
CAS RN	Nicht angegeben
PubChem CID	136670097
Molecular formula	C19H21N7O6
Molecular weight	443.4 g/mol
IUPAC name	(2S)-2-[[4-[(2-amino-4-oxo-5,6-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChIKey	XMYXXFPKFWSFBU-KIYNQFGBSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Calcium Levofolinate Impurity 22 — 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	2
Tertiary amines	0

SMILES	C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2C=NC3=C(N2)C(=O)NC(=N3)N
InChI	Nicht angegeben

03Stereochemistry

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

Defined centres1Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.