C9H11ClN4O2
242.66 g/mol
Pharmaceutical IntermediateWarning
7-(2-Chloroethyl)theophylline
CAS5878-61-5EC227-553-2
Category
Pharmaceutical Intermediate
Compound Class
Heterocycle
Primary Use
Pharmaceutical Intermediate
7-(2-Chloroethyl)theophylline is a chlorinated derivative of theophylline and serves as a pharmaceutical intermediate. It is structurally related to the prodrug fenethylline, which is a codrug of amphetamine and theophylline.
pharmaceutical intermediate
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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CAS 5878-61-5
Related Compounds
StrongStructure SimilarSimilarity 0.85
7-(3-Chloropropyl)theophylline
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SimilarStructure SimilarSimilarity 0.72
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SimilarStructure SimilarSimilarity 0.72
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Safety Reference
Warning
H302Harmful if swallowed
Identifiers
IUPAC Name
7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
InChIKey
QCIARNIKNKKHFH-UHFFFAOYSA-N
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Synonyms (22)
- A1IOQ
- 7-(2-Chloroethyl)theophylline
- 7-(Chloroethyl)theophylline
- Benaphyllin
- Eupnophile
- beta-Chloroethyltheophylline