CHEBI:31385 - Celiprolol hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Celiprolol hydrochloride
ChEBI ID CHEBI:31385
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C20H33N3O4.HCl
C20H34ClN3O4
Net Charge 0
Average Mass 415.955
Monoisotopic Mass 415.22378
InChI InChI=1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H
InChIKey VKJHTUVLJYWAEY-UHFFFAOYSA-N
SMILES C=1(C(=CC(NC(N(CC)CC)=O)=CC1)C(C)=O)OCC(CNC(C)(C)C)O.Cl
ChEBI Ontology
Outgoing Celiprolol hydrochloride (CHEBI:31385) is a aromatic ketone (CHEBI:76224)
Synonym Source
Celiprolol hydrochloride KEGG COMPOUND
Manual Xref Database
D01741 KEGG DRUG
View more database links
Registry Number Type Source
57470-78-7 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017