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CHEBI:135300 - acediasulfone

ChEBI IDCHEBI:135300
ChEBI Nameacediasulfone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC14H14N2O4S
Net Charge0
Average Mass306.343
Monoisotopic Mass306.06743
SMILESNc1ccc(S(=O)(=O)c2ccc(NCC(=O)O)cc2)cc1
InChIInChI=1S/C14H14N2O4S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)
InChIKeyFKKUMFTYSTZUJG-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
acediasulfone (CHEBI:135300) is a α-amino acid (CHEBI:33704)
Manual XrefsDatabases
44DrugCentral
Registry NumbersSources
CAS:80-03-5DrugCentral