Argatroban Impurity 23

01Identità

Lazychem ID	LC-41241
CAS RN	Non indicato
PubChem CID	44308805
Molecular formula	C23H36N6O5S
Molecular weight	508.6 g/mol
IUPAC name	(2R,4S)-1-[(2R)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
InChIKey	KXNPVXPOPUZYGB-WYDSMHRWSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Argatroban Impurity 23 — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	3
Secondary amines	1
Tertiary amines	0

SMILES	C[C@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
InChI	Non indicato

03Stereochemistry

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

Defined centres3Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

7 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.

CAS not listed

KXNPVXPOPUZYGB-WYDSMHRWSA-N

Current configuration