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CHEBI:31903 - Niceritrol

Default Structure
ChEBI IDCHEBI:31903
ChEBI NameNiceritrol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC29H24N4O8
Net Charge0
Average Mass556.531
Monoisotopic Mass556.15941
SMILESO=C(OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2
InChIKeyKUEUWHJGRZKESU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Niceritrol (CHEBI:31903) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
NiceritrolKEGG COMPOUND
niceritrol tetrahydrochlorideDrugCentral
nicotinic acid neopentanetetrayl esterDrugCentral
pentaerythritol tetranicotinateDrugCentral
pentaerythritoltetranicotinateDrugCentral
perycitDrugCentral
Manual XrefsDatabases
1911DrugCentral
D01754KEGG DRUG
Registry NumbersSources
CAS:5868-05-3KEGG COMPOUND