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209725-34-8Caffeine EP Impurity E (Nitrate Salt)

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Catalogue No.:	VE0022949
CAS No.:	209725-34-8
Mol. Formula:	C7H13N5O4
Mol. Weight:	231.21 g/mol

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Additional information on CAS 209725-34-8

Parent drug

Caffeine

IUPAC Name

N,1-dimethyl-4-(methylamino)-1H-imidazole-5-carboxamide nitrate

Pharmacopoeial Synonyms

N/A

Other Synonyms

Caffeidine Nitrate; N, 3-dimethyl-5-(methylamino)imidazole-4-carboxamide; nitric acid

Smiles

O=C(C1=C(NC)N=CN1C)NC.O[N+]([O-])=O

InChI

InChI=1S/C7H12N4O.HNO3/c1-8-6-5(7(12)9-2)11(3)4-10-6;2-1(3)4/h4, 8H, 1-3H3, (H, 9, 12);(H, 2, 3, 4)

Description

Caffeine EP Impurity E, also designated Caffeidine Impurity as the nitrate salt, corresponds to CAS 209725-34-8 and has the molecular formula C7H13N5O4 with molecular weight 231.21 g/mol. This caffeine-related xanthine derivative is structurally distinct from nitrosamines and is typically associated with oxidative or hydrolytic transformation pathways during synthesis or storage of methylxanthine materials. Owing to its polar ionic nitrate form, characterization generally requires reversed-phase LC coupled to MS/MS or HRMS, with orthogonal confirmation by ion chromatography or NMR where necessary. Its pharmacopoeial relevance lies in impurity profiling and specification control within caffeine-related substances.