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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | acebutolol hydrochloride | |
| Synonyms |
Prent dl-1-(2-acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride Sectral (+-)-3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide monohydrochloride Neptal 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide hydrochloride N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide hydrochloride Acebutolol hydrochloride |
|
| Definitions |
The hydrochloride salt of acebutolol, prepared using equimolar amounts of acebutolol and hydrogen chloride. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2380 |
|
| charge |
0
|
|
| database_cross_reference |
Beilstein:6080568 Gmelin:2181029 KEGG:C07677 CAS:34381-68-5 KEGG:D00597 DrugBank:DB01193
|
|
| definition |
The hydrochloride salt of acebutolol, prepared using equimolar amounts of acebutolol and hydrogen chloride.
|
|
| formula |
C18H28N2O4.HCl
|
|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_38070 http://purl.obolibrary.org/obo/CHEBI_35524 |
|
| has_exact_synonym |
N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide hydrochloride Acebutolol hydrochloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Prent dl-1-(2-acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride Sectral (+-)-3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide monohydrochloride Neptal 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide hydrochloride
|
|
| id |
CHEBI:2380
|
|
| in_subset | ||
| inchi |
InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H
|
|
| inchikey |
KTUFKADDDORSSI-UHFFFAOYSA-N
|
|
| label |
acebutolol hydrochloride
|
|
| mass |
372.88664
|
|
| monoisotopicmass |
372.18159
|
|
| notation |
CHEBI:2380
|
|
| prefLabel |
acebutolol hydrochloride
|
|
| smiles |
Cl[H].CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
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| treeView | ||
| subClassOf |
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