Chemical Entities of Biological Interest Ontology

Last uploaded: June 1, 2024

Preferred Name	Celiprolol hydrochloride
Synonyms	Celiprolol hydrochloride
ID	http://purl.obolibrary.org/obo/CHEBI_31385
charge	0
database_cross_reference	CAS:57470-78-7 KEGG:D01741
formula	C20H34ClN3O4 C20H33N3O4.HCl
has_exact_synonym	Celiprolol hydrochloride
has_obo_namespace	chebi_ontology
id	CHEBI:31385
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
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
label	Celiprolol hydrochloride
mass	415.955
monoisotopicmass	415.22378
notation	CHEBI:31385
prefLabel	Celiprolol hydrochloride
smiles	C=1(C(=CC(NC(N(CC)CC)=O)=CC1)C(C)=O)OCC(CNC(C)(C)C)O.Cl
treeView	http://purl.obolibrary.org/obo/CHEBI_76224
subClassOf	http://purl.obolibrary.org/obo/CHEBI_76224

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_31385	BERO	SAME_URI
http://stirdf.jst.go.jp/id/200907032801304752	IOBC	LOOM
http://purl.obolibrary.org/obo/CHEBI_31385	BERO	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/395874008	SNOMEDCT	LOOM
http://www.co-ode.org/ontologies/galen#CeliprololHydrochloride	GALEN	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C81655	NCIT	LOOM
http://purl.jp/bio/4/id/200906097048245609	IOBC	LOOM
http://purl.bioontology.org/ontology/RXNORM/203145	RXNORM	LOOM
http://purl.obolibrary.org/obo/NCIT_C81655	BERO	LOOM