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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:
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.
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.
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