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CHEBI:32107 - Roxatidine acetate hydrochloride

Default Structure
ChEBI IDCHEBI:32107
ChEBI NameRoxatidine acetate hydrochloride
Stars
Last Modified21 November 2019
DownloadsMolfile
FormulaC19H28N2O4.HCl
Net Charge0
Average Mass384.904
Monoisotopic Mass384.18159
SMILESCC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl
InChIInChI=1S/C19H28N2O4.ClH/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);1H
InChIKeyFEWCTJHCXOHWNL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Roxatidine acetate hydrochloride (CHEBI:32107) has part Roxane (CHEBI:94758)
Roxatidine acetate hydrochloride (CHEBI:32107) is a piperidines (CHEBI:26151)
Synonyms  Source
Altat (TN)KEGG COMPOUND
Roxatidine acetate hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
D01467KEGG DRUG
Registry NumbersSources
CAS:93793-83-0KEGG COMPOUND