Caffeine Impurity 2

Molecular descriptor profile

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Complete molecular descriptors

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Caffeine Impurity 2

Qualification and safety assessment of Caffeine Impurity 2

Explore toxicological qualification of Caffeine Impurity 2 and ICH M7 mutagenic impurity assessment of Caffeine Impurity 2 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Caffeine Impurity 2 and acceptable intake and limit justification for Caffeine Impurity 2. The relevant approach depends on the available evidence, exposure and duration of use.

Other catalogue designations with the same represented structure

These are separate catalogue entries; shared structure does not establish interchangeable pharmacopoeial designations.

• 8-Chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (8-Chlorocaffeine)
• Dimenhydrinate Imp. E (EP): 8-Chloro-1,3,7-trimethyl-3,7- dihydro-1H-purine-2,6-dione (8-Chlorocaffeine)
• Dimenhydrinate Related Compound E

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

• RDKit structure handling and depiction
• RDKit molecular descriptor documentation