CHEBI:59778 - 8-chlorotheophylline(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-chlorotheophylline(1−)
ChEBI ID CHEBI:59778
ChEBI ASCII Name 8-chlorotheophylline(1-)
Definition The anion resulting from the removal of the proton fron the purine ring of 8-chlorotheophylline.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H6ClN4O2
Net Charge -1
Average Mass 213.60100
Monoisotopic Mass 213.01848
InChI InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10,13)/p-1
InChIKey NBLOJVMYLSLJSB-UHFFFAOYSA-M
SMILES Cn1c2nc(Cl)[n-]c2c(=O)n(C)c1=O
ChEBI Ontology
Outgoing 8-chlorotheophylline(1−) (CHEBI:59778) is a organic nitrogen anion (CHEBI:50335)
8-chlorotheophylline(1−) (CHEBI:59778) is conjugate base of 8-chlorotheophylline (CHEBI:59771)
Incoming dimenhydrinate (CHEBI:4604) has part 8-chlorotheophylline(1−) (CHEBI:59778)
8-chlorotheophylline (CHEBI:59771) is conjugate acid of 8-chlorotheophylline(1−) (CHEBI:59778)
IUPAC Name
8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ide
Synonyms Sources
1,3-dimethyl-8-chloroxanthine anion ChEBI
1,3-dimethyl-8-chloroxanthine(1−) ChEBI
8-chlorotheophylline anion ChEBI
Registry Numbers Types Sources
3678329 Reaxys Registry Number Reaxys
3678329 Beilstein Registry Number Beilstein
Last Modified
25 July 2011