Acebutolol

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Systematic / IUPAC Name: N-{3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}butanamide

ID: Reference1864

Other Names: Acetobutolol;
Sectral;
Prent;
Neptal;
Acebutololum ; more

Formula: C18H28N2O4

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Acebutolol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 39
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/8/2015 9:52:25 AM
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Identificators

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)
InChI Key GOEMGAFJFRBGGG-UHFFFAOYSA-N
Canonical SMILES CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C
CAS
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Other Names Acetobutolol;
Sectral;
Prent;
Neptal;
Acebutololum;
Acebutololo;
DL-Acebutolol;
1-(2-Acetyl-4-N-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane;
N-{3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}butanamide;
N-(3-Acetyl-4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}phenyl)butanamide;
N-{3-Acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide

In Other Databases

ChEBI CHEBI:2379
DrugBank APRD00772
PubChem 1978
KEGG C06803; D02338
Wikipedia Acebutolol
ChEMBL CHEMBL642
ChemIDPlus 037517309; 095646610
ChemSpider 1901