CHEBI:94758 - Roxane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Roxane
ChEBI ID CHEBI:94758
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H28N2O4
Net Charge 0
Average Mass 348.443
Monoisotopic Mass 348.20491
InChI InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
InChIKey SMTZFNFIKUPEJC-UHFFFAOYSA-N
SMILES CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2
ChEBI Ontology
Outgoing Roxane (CHEBI:94758) is a piperidines (CHEBI:26151)
Incoming Roxatidine acetate hydrochloride (CHEBI:32107) has part Roxane (CHEBI:94758)
IUPAC Name
2-oxo-2-[(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)amino]ethyl acetate
Synonyms Sources
aceroxatidine DrugCentral
acetic acid [2-oxo-2-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]ethyl] ester IUPAC
pifatidine DrugCentral
Roxatidine acetate IUPAC
Manual Xrefs Databases
2408 DrugCentral
4926 ChemSpider
D08495 KEGG DRUG
HMDB0015695 HMDB
LSM-5874 LINCS
View more database links
Registry Number Type Source
78628-28-1 CAS Registry Number DrugCentral
Last Modified
21 November 2019