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CHEBI:31982 - Perisoxal citrate

Default Structure
ChEBI IDCHEBI:31982
ChEBI NamePerisoxal citrate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C16H20N2O2.C6H8O7
Net Charge0
Average Mass736.819
Monoisotopic Mass736.33196
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.OC(CN1CCCCC1)c1cc(-c2ccccc2)on1.OC(CN1CCCCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/2C16H20N2O2.C6H8O7/c2*19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyOOSOWXQJLLTIAF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Perisoxal citrate (CHEBI:31982) is a carbonyl compound (CHEBI:36586)
Synonym  Source
Perisoxal citrateKEGG COMPOUND
Manual XrefsDatabases
D01439KEGG DRUG
Registry NumbersSources
CAS:2139-25-5KEGG COMPOUND