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916746-61-7alpha Lipoic Acid Impurity C

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Catalogue No.:	VE0028872
CAS No.:	916746-61-7
Mol. Formula:	C12H23NO4S2
Mol. Weight:	309.4 g/mol

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Additional information on CAS 916746-61-7

Parent drug

Thioctic Acid/ Lipoic Acid

IUPAC Name

N-(1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)-5-(1,2-dithiolan-3-yl)pentanamide

Pharmacopeial Synonyms

N/A

Synonyms

Thioctic Acid Impurity 4

Smiles

O=C(NC(CO)(CO)CO)CCCCC1SSCC1

InChI

InChI=1S/C12H23NO4S2/c14-7-12(8-15,9-16)13-11(17)4-2-1-3-10-5-6-18-19-10/h10,14-16H,1-9H2,(H,13,17)

Description

Alpha Lipoic Acid Impurity C, also referred to as Thioctic Acid Impurity 4, is a sulfur-containing process-related impurity associated with the alpha-lipoic acid scaffold rather than a discrete pharmacophore class such as a nitrosamine. CAS 916746-61-7, molecular formula C12H23NO4S2, and molecular weight 309.4 g/mol are consistent with a modified thioctic acid derivative bearing additional nitrogen and oxygen functionality. Its occurrence is plausibly linked to synthetic intermediates, side reactions during cyclization, or oxidative transformation of dithiolane chemistry. Structural assignment and trace-level quantification typically require LC-MS/MS, HRMS, and orthogonal LC-UV methods; confirmation may also rely on NMR and impurity profiling in regulatory submissions.