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CHEBI:142240 - benz[a]anthracene 5,6-oxide

ChEBI IDCHEBI:142240
ChEBI Namebenz[a]anthracene 5,6-oxide
Stars
ASCII Namebenz[a]anthracene 5,6-oxide
DefinitionAn arene epoxide that is tetraphene which has undergone 1,2 addition of an oxygen atom to the double bond at the 5-6 position.
Last Modified18 September 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H12O
Net Charge0
Average Mass244.293
Monoisotopic Mass244.08882
SMILESc1ccc2c(c1)-c1cc3ccccc3cc1C1OC21
InChIInChI=1S/C18H12O/c1-2-6-12-10-16-15(9-11(12)5-1)13-7-3-4-8-14(13)17-18(16)19-17/h1-10,17-18H
InChIKeyAPIRAYPNDXRJBP-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
benz[a]anthracene 5,6-oxide (CHEBI:142240) has parent hydride tetraphene (CHEBI:51348)
benz[a]anthracene 5,6-oxide (CHEBI:142240) has role mutagen (CHEBI:25435)
benz[a]anthracene 5,6-oxide (CHEBI:142240) is a arene epoxide (CHEBI:37410)
benz[a]anthracene 5,6-oxide (CHEBI:142240) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
1a,11b-dihydrotetrapheno[5,6-b]oxirene
Synonyms  Source
1a,11b-dihydrobenzo[3,4]anthra[1,2-b]oxireneIUPAC
benzo[a]anthracene 5,6-oxideChemIDplus
5,6-epoxy-5,6-dihydrobeno[a]anthraceneChEBI
5,6-epoxy-5,6-dihydrobenz[a]anthraceneChemIDplus
5,6-epoxy-5,6-dihydrobenz(a)anthraceneChemIDplus
3,4-dihydro-3,4-epoxy-1,2-benzanthraceneChemIDplus
Registry NumbersSources
Reaxys:1287156Reaxys
CAS:962-32-3ChemIDplus
CAS:9621-32-3NIST Chemistry WebBook
Citations