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Neuroscience Information Framework (NIF) Standard Ontology
| Preferred Name | acebutolol | |
| Synonyms |
acetobutolol acebutololum 5'-butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide (+-)-acebutolol N-(3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide acebutolol N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide Acebutolol |
|
| Definitions |
An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2379 |
|
| alternative label |
acetobutolol acebutololum 5'-butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide (+-)-acebutolol N-(3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide acebutolol N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide Acebutolol
|
|
| charge |
0
|
|
| database_cross_reference |
LINCS:LSM-4384 CAS:37517-30-9 Beilstein:2162244 KEGG:C06803 Patent:ZA6808345 PMID:1378852 KEGG:D02338 Wikipedia:Acebutolol DrugBank:DB01193 Gmelin:2179873 Drug_Central:40 Patent:US3857952
|
|
| definition |
An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.
|
|
| formula |
C18H28N2O4
|
|
| has characteristic |
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 Acebutolol
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_38070 http://purl.obolibrary.org/obo/CHEBI_35524 |
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
acetobutolol acebutololum 5'-butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide (+-)-acebutolol N-(3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide acebutolol
|
|
| id |
CHEBI:2379
|
|
| in_subset | ||
| inchi |
InChI=1S/C18H28N2O4/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)
|
|
| inchikey |
GOEMGAFJFRBGGG-UHFFFAOYSA-N
|
|
| is conjugate base of | ||
| label |
acebutolol
|
|
| mass |
336.42600
|
|
| monoisotopicmass |
336.20491
|
|
| notation |
CHEBI:2379
|
|
| note |
An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.
|
|
| preferred label |
acebutolol
|
|
| prefLabel |
acebutolol
|
|
| smiles |
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35533 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_23981 http://purl.obolibrary.org/obo/CHEBI_62733 |
| Delete | Subject | Author | Type | Created |
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| No notes to display |