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CHEBI:72457 - 2-fluoroadenine

ChEBI IDCHEBI:72457
ChEBI Name2-fluoroadenine
Stars
DefinitionAn organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine.
Last Modified14 February 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC5H4FN5
Net Charge0
Average Mass153.120
Monoisotopic Mass153.04507
SMILESNc1nc(F)nc2ncnc12
InChIInChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKeyWKMPTBDYDNUJLF-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
2-fluoroadenine (CHEBI:72457) has role antineoplastic agent (CHEBI:35610)
2-fluoroadenine (CHEBI:72457) is a organofluorine compound (CHEBI:37143)
2-fluoroadenine (CHEBI:72457) is a purines (CHEBI:26401)
Incoming Relation(s)
fludarabine phosphate (CHEBI:63599) has functional parent 2-fluoroadenine (CHEBI:72457)
IUPAC Name 
2-fluoro-7H-purin-6-amine
Synonyms  Source
2-FadChemIDplus
SRI 774ChemIDplus
2-fluoro-6-aminopurineChemIDplus
2-fluoro-1H-purin-6-amineChemIDplus
BRN 0610958ChemIDplus
NSC 27364ChemIDplus
Manual XrefsDatabases
A2FPDBeChem
EP2070931Patent
Registry NumbersSources
Reaxys:11305663Reaxys
CAS:700-49-2ChemIDplus
Citations