OntologieschebiclassesCHEBI:2379   
JSON document
acebutolol
http://purl.obolibrary.org/obo/CHEBI_2379

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.

Also appears inslmdron
Exact Synonyms
Acebutolol
N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide
Related Synonyms
(+-)-acebutolol
3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
5'-butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone
acebutolol
acebutololum
acetobutolol
N-(3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide
N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide
class Information
charge

0

formula

C18H28N2O4

has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

336.42600

monoisotopicmass

336.20491

smiles

CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O

class Relations