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CHEBI:59778 - 8-chlorotheophylline(1−)
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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.
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This entity has been manually annotated by the ChEBI Team.
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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