C6H6N4O2
166.14 g/mol
Pharmaceutical IntermediateWarning
3-Methylxanthine
CAS1076-22-8EC214-058-1
Category
Pharmaceutical Intermediate
Compound Class
Heterocycle
Primary Use
Pharmaceutical Intermediate
3-Methylxanthine is a methylated derivative of xanthine and is used as a pharmaceutical intermediate in the synthesis of active compounds. It features a polar, aromatic heterocyclic structure with hydrogen bond donor and acceptor sites.
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
ReferenceSame Category
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ReferenceSame Category
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pharmaceutical intermediate
ReferenceSame Category
Rac N-Methyl Atomoxetine Oxalate
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pharmaceutical intermediate
ReferenceSame Category
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CAS107754-14-3
pharmaceutical intermediate
Safety Reference
Warning
H302Harmful if swallowed
Customs Tariff Classification
The international HS code for 3-Methylxanthine (CAS 1076-22-8) is 2933.59.
HS code (international, 6-digit)
2933.59
EU CN code (8-digit)
2933 59 95
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
3-methyl-7H-purine-2,6-dione
InChIKey
GMSNIKWWOQHZGF-UHFFFAOYSA-N
SMILES
CN1C2=C(C(=O)NC1=O)NC=N2
Synonyms (38)
- Aminophylline EP Impurity B
- Pentoxifylline EP Impurity B
- Theophylline EP Impurity B; Pentoxifylline EP Impurity B
- 1-METHYLXANTHINE (1-MX)
- 2,6-Dihydroxy-3-methylpurine
- 2-oxo-3-methylhypoxanthine
- 3 MX
- 3-Methylxanthine
- 3-Methylxanthine (Standard)
- 3-methyl-7H-purine-2,6-dione
- 3-methyl-7H-xanthine
- 3-methyl-9H-purine-2,6-dione
- 3-methyl-9H-xanthine
- Linagliptin Intermediates
- N(1)-demethyltheophylline
- PENTOXIFYLLINE IMPURITY B
- THEOPHYLLINE IMPURITY B
- Xanthine, 3-methyl-
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