Identität

Calcium Levofolinate Impurity 18

Nicht angegeben · C20H23N7O6

01Identität

Lazychem ID	LC-34617
CAS RN	Nicht angegeben
PubChem CID	136262669
Molecular formula	C20H23N7O6
Molecular weight	457.4 g/mol
IUPAC name	2-[[4-(4-amino-12-methyl-2-oxo-3,5,7,11,12-pentazatricyclo[7.2.1.01,6]dodeca-4,6-dien-11-yl)benzoyl]amino]pentanedioic acid
InChIKey	NQDJKGQEBMUESX-UHFFFAOYSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Calcium Levofolinate Impurity 18 — 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. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	4
Secondary amines	0
Tertiary amines	2

SMILES	CN1C2CN=C3C1(C(=O)NC(=N3)N)N(C2)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 0 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres3Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 8Before 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.