Preferred Name |
propranolol |
|
Synonyms |
propranololum beta-Propranolol propranololo 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol Propanalol Propanolol propranolol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol Propranolol 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol |
|
Definitions |
A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_8499 |
|
charge |
0 |
|
database_cross_reference |
LINCS:LSM-4329 PMID:24495884 Wikipedia:Propranolol PMID:18259090 PMID:24504055 KEGG:C07407 KEGG:D08443 Beilstein:987417 Drug_Central:2303 HMDB:HMDB0001849 DrugBank:DB00571 CAS:525-66-6 Reaxys:987417 |
|
definition |
A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. |
|
formula |
C16H21NO2 |
|
has functional parent | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_38070 http://purl.obolibrary.org/obo/CHEBI_85234 http://purl.obolibrary.org/obo/CHEBI_35474 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35620 http://purl.obolibrary.org/obo/CHEBI_35674 |
|
has_exact_synonym |
Propranolol 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
propranololum beta-Propranolol propranololo 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol Propanalol Propanolol propranolol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol |
|
id |
CHEBI:8499 |
|
in_subset | ||
inchi |
InChI=1S/C16H21NO2/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 |
|
inchikey |
AQHHHDLHHXJYJD-UHFFFAOYSA-N |
|
label |
propranolol |
|
mass |
259.34348 |
|
monoisotopicmass |
259.15723 |
|
notation |
CHEBI:8499 |
|
prefLabel |
propranolol |
|
smiles |
CC(C)NCC(O)COc1cccc2ccccc12 |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_35533 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35533 |