CHEBI:31903 - Niceritrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Niceritrol
ChEBI ID CHEBI:31903
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C29H24N4O8
C29H24N4O8
Net Charge 0
Average Mass 556.524
Monoisotopic Mass 556.15941
InChI InChI=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
InChIKey KUEUWHJGRZKESU-UHFFFAOYSA-N
SMILES C(COC(=O)C=1C=CC=NC1)(COC(=O)C=2C=CC=NC2)(COC(=O)C=3C=CC=NC3)COC(=O)C=4C=CC=NC4
ChEBI Ontology
Outgoing Niceritrol (CHEBI:31903) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Niceritrol KEGG COMPOUND
niceritrol tetrahydrochloride DrugCentral
nicotinic acid neopentanetetrayl ester DrugCentral
pentaerythritol tetranicotinate DrugCentral
pentaerythritoltetranicotinate DrugCentral
perycit DrugCentral
Manual Xrefs Databases
1911 DrugCentral
D01754 KEGG DRUG
View more database links
Registry Number Type Source
5868-05-3 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017