CHEBI:8500 - propranolol hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name propranolol hydrochloride
ChEBI ID CHEBI:8500
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C16H21NO2.HCl
C16H22ClNO2
Net Charge 0
Average Mass 295.80412
Monoisotopic Mass 295.13391
InChI InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
InChIKey ZMRUPTIKESYGQW-UHFFFAOYSA-N
SMILES [H+].[Cl-].CC(C)NCC(O)COc1cccc2ccccc12
ChEBI Ontology
Outgoing propranolol hydrochloride (CHEBI:8500) has part propranolol (CHEBI:8499)
propranolol hydrochloride (CHEBI:8500) is a hydrochloride (CHEBI:36807)
IUPAC Name
3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol hydrochloride
Synonyms Sources
(+-)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride ChemIDplus
1-(1-Naphthyloxy)-2-hydroxy-3-isopropylaminopropane hydrochloride ChemIDplus
1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol hydrochloride ChemIDplus
1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride ChemIDplus
1-Isopropylamino-3-(1-naphthoxy)-propan-2-ol-hydrochloride ChemIDplus
Manual Xrefs Databases
D00483 KEGG DRUG
DB00571 DrugBank
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Registry Numbers Types Sources
318-98-9 CAS Registry Number ChemIDplus
4164259 Beilstein Registry Number Beilstein
Last Modified
03 December 2008