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Acebutolol Impurity B HCl

CAT: 1596-AR-A01096-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01096-01Size:10 Units
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CAS Number
22568-64-5
Synonyms
N- (3-acetyl-4- (2-hydroxy-3- (isopropylamino) propoxy) phenyl) acetamide; (±) -N-[3-Acetyl-4-[2-hydroxy-3-[ (1-methylethyl) amino]propoxy]phenyl]acetamide; DL-3'-Acetyl-4'-[2-hydroxy-3- (isopropylamino) propoxy]acetanilide; (±) -Diacetolol; Diacetolol; 1- (4-Acetamido-2-acetylphenoxy) -2-hydroxy-3-isopropylaminopropane; DL-1- (2-Acetyl-4-acetamidophenoxy) -2-hydroxy-3-isopropylaminopropane; Acetylacebutolol; M and B 16942; Acebutolol USP RC B
Molecular Formula
C16H24N2O4 HCl
Molecular Weight
308.38 36.46
API Name
Acebutolol

Chemical Information

Diacetolol

RN given refers to parent cpd without isomeric designation

CAS Number22568-64-5
PubChem CID50894
IUPAC NameN-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Molecular FormulaC16H24N2O4
Molecular Weight308.37
XLogP0.9
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity373
SMILES
CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O
InChI
InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)
InChIKey
AWOGXJOBNAWQSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diacetolol
CAS: 22568-64-5
CID: 50894
Formula: C16H24N2O4
MW: 308.37
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.37
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass308.17360725
Monoisotopic Mass308.17360725
Topological Polar Surface Area87.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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