CHEBI:32107 - Roxatidine acetate hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Roxatidine acetate hydrochloride
ChEBI ID CHEBI:32107
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C19H28N2O4.HCl
C19H29ClN2O4
Net Charge 0
Average Mass 384.898
Monoisotopic Mass 384.18159
InChI InChI=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
InChIKey FEWCTJHCXOHWNL-UHFFFAOYSA-N
SMILES N(CCCOC1=CC(=CC=C1)CN2CCCCC2)C(COC(C)=O)=O.Cl
ChEBI Ontology
Outgoing Roxatidine acetate hydrochloride (CHEBI:32107) has part Roxane (CHEBI:94758)
Roxatidine acetate hydrochloride (CHEBI:32107) is a piperidines (CHEBI:26151)
Synonyms Sources
Altat (TN) KEGG COMPOUND
Roxatidine acetate hydrochloride KEGG COMPOUND
Manual Xref Database
D01467 KEGG DRUG
View more database links
Registry Number Type Source
93793-83-0 CAS Registry Number KEGG COMPOUND
Last Modified
21 November 2019