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CHEBI:94758 - Roxane

ChEBI IDCHEBI:94758
ChEBI NameRoxane
Stars
Last Modified21 November 2019
DownloadsMolfile
FormulaC19H28N2O4
Net Charge0
Average Mass348.443
Monoisotopic Mass348.20491
SMILESCC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=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)
InChIKeySMTZFNFIKUPEJC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Roxane (CHEBI:94758) is a piperidines (CHEBI:26151)
Incoming Relation(s)
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  Source
aceroxatidineDrugCentral
pifatidineDrugCentral
Roxatidine acetateIUPAC
acetic acid [2-oxo-2-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]ethyl] esterIUPAC
Manual XrefsDatabases
LSM-5874LINCS
2408DrugCentral
HMDB0015695HMDB
4926ChemSpider
D08495KEGG DRUG
Registry NumbersSources
CAS:78628-28-1DrugCentral