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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Related Compounds
StrongStructure SimilarSimilarity 0.85
7-(3-Chloropropyl)theophylline
CAS2770-66-3
pharmaceutical intermediate
SimilarStructure SimilarSimilarity 0.72
7-(2-Bromoethyl)theophylline
CAS23146-05-6
pharmaceutical intermediate
SimilarStructure SimilarSimilarity 0.72
Etofylline
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pharmaceutical raw material
ReferenceSame Category
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CAS58794-09-5
pharmaceutical intermediate
ReferenceSame Category
N-(3-Methoxyphenyl)acetamide
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pharmaceutical intermediate
ReferenceSame Category
Ethyl 4-amino-1-piperidinecarboxylate
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pharmaceutical intermediate
ReferenceSame Category
2-(4-Fluorophenyl)thiophene
CAS58861-48-6
pharmaceutical intermediate
Safety Reference
Warning
H302Harmful if swallowed
Customs Tariff Classification
The international HS code for 7-(2-Chloroethyl)theophylline (CAS 5878-61-5) 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
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
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