CHEBI:59771 - 8-chlorotheophylline

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ChEBI Name 8-chlorotheophylline
ChEBI ID CHEBI:59771
Definition 1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H7ClN4O2
Net Charge 0
Average Mass 214.60900
Monoisotopic Mass 214.026
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
SMILES Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O
Roles Classification
Application(s): central nervous system stimulant
Any drug that enhances the activity of the central nervous system.
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ChEBI Ontology
Outgoing 8-chlorotheophylline (CHEBI:59771) has role central nervous system stimulant (CHEBI:35337)
8-chlorotheophylline (CHEBI:59771) is a organochlorine compound (CHEBI:36683)
8-chlorotheophylline (CHEBI:59771) is a purines (CHEBI:26401)
8-chlorotheophylline (CHEBI:59771) is conjugate acid of 8-chlorotheophylline(1−) (CHEBI:59778)
Incoming 8-chlorotheophylline(1−) (CHEBI:59778) is conjugate base of 8-chlorotheophylline (CHEBI:59771)
IUPAC Name
8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonyms Sources
1,3-dimethyl-8-chloroxanthine ChemIDplus
8-chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione ChemIDplus
Registry Numbers Types Sources
203068 Beilstein Registry Number Beilstein
203068 Reaxys Registry Number Reaxys
85-18-7 CAS Registry Number ChemIDplus
Last Modified
25 July 2011