Acebutolol hydrochloride

C18H29ClN2O4CAS 34381-68-5372.89 g/mol

OHNOOHNHOHCl
AlcoholEtherKetoneSecondary amine

Properties

Molecular formula
C18H29ClN2O4
Molar mass
372.89 g/mol
Exact mass
372.1816 Da
Melting point
141–143 °C
logP
3.44Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
10

Identifiers

CAS number
34381-68-5
SMILES
CCCC(O)=Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl
InChIKey
KTUFKADDDORSSI-UHFFFAOYSA-N
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

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Names and synonyms

14 names · show all
  • Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, hydrochloride (1:1)
  • Butyranilide, 3′-acetyl-4′-[2-hydroxy-3-(isopropylamino)propoxy]-, monohydrochloride, (±)-
  • Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, monohydrochloride, (±)-
  • Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, monohydrochloride
  • M And B 17803A
  • DL-1-(2-Acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
  • M & B 17803A
  • DL-1-(2-Acetyl-4-butyramido)-3-(isopropylamino)propan-2-ol hydrochloride
  • Sectral
  • Acetobutolol hydrochloride
  • (±)-Acebutolol hydrochloride
  • Acetanol
  • IL 17803A
  • Neptall

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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