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CHEBI:76331 - N-acetoxy-2-acetamidofluorene

Default Structure
ChEBI IDCHEBI:76331
ChEBI NameN-acetoxy-2-acetamidofluorene
Stars
ASCII NameN-acetoxy-2-acetamidofluorene
DefinitionA 2-acetamidofluorene compound in which the parent 2-acetamidofluorene is substituted on nitrogen by an acetoxy group.
Last Modified5 March 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H15NO3
Net Charge0
Average Mass281.311
Monoisotopic Mass281.10519
SMILESCC(=O)ON(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H15NO3/c1-11(19)18(21-12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3
InChIKeyNFOMHWALMFWNAQ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
N-acetoxy-2-acetamidofluorene (CHEBI:76331) has role carcinogenic agent (CHEBI:50903)
N-acetoxy-2-acetamidofluorene (CHEBI:76331) has role mutagen (CHEBI:25435)
N-acetoxy-2-acetamidofluorene (CHEBI:76331) is a 2-acetamidofluorenes (CHEBI:19432)
IUPAC Name 
N-acetyloxy-N-(9H-fluoren-2-yl)acetamide
Synonyms  Source
2-AcetoxyacetylaminofluoreneChemIDplus
Acetic acid, ester with N-(fluoren-2-yl)acetohydroxamic acidChemIDplus
Acetic acid, (N-acetyl-N-(2-fluorenyl)amino) esterChemIDplus
Acetoxy AAFChemIDplus
AcetoxyacetylaminofluoreneChemIDplus
NA-AAFChEBI
Registry NumbersSources
Reaxys:2222410Reaxys
CAS:6098-44-8ChemIDplus
Citations