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8-chlorotheophylline

CHEBI:CHEBI_59771

Definition

1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine.

Chemical Information

Molecular Formula
C7H7ClN4O2
Molecular Mass
214.60900
Charge
0
SMILES
Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O
InChI
InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey
RYIGNEOBDRVTHA-UHFFFAOYSA-N

Alternative Names

  • 1,3-dimethyl-8-chloroxanthine
  • 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 8-chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Reaxys:203068
core#notation
CHEBI:59771

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Reaxys:203068
oboInOwl#id
CHEBI:59771
core#notation
CHEBI:59771
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_35337
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_59778
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_59778
owl#annotatedSource
t255746
owl#someValuesFrom
t255470