Atenolol EP Impurity B

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CAT#:1596-AR-A02731-01Size:25 Units

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CAS Number

61698-76-8

Synonyms

2- (4- (2,3-dihydroxypropoxy) phenyl) acetamide; Des (isopropylamino) Atenolol Diol; Atenolol USP Related Compound A

Molecular Formula

C11H15NO4

Molecular Weight

225.24

API Name

Atenolol

Chemical Information

4-(2,3-Dihydroxypropoxy)phenyl acetamide

structure given in first source; impurity found in the HPLC assay for atenolol

CAS Number	61698-76-8
PubChem CID	572441
IUPAC Name	2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
Molecular Formula	C11H15NO4
Molecular Weight	225.24
XLogP	-0.9
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	214

SMILES

C1=CC(=CC=C1CC(=O)N)OCC(CO)O

InChI

InChI=1S/C11H15NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,9,13-14H,5-7H2,(H2,12,15)

InChIKey

CQOQCZLTCMUVMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61698-76-8

CID: 572441

Formula: C11H15NO4

MW: 225.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.24
XLogP3	-0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	225.10010796
Monoisotopic Mass	225.10010796
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A02730-01	Atenolol EP Impurity A
AR-A02738-01	Atenolol EP Impurity E
AR-A03232-01	Atenolol EP Impurity G
AR-A03256-01	Atenolol EP Impurity I
AR-A02735-01	Atenolol EP Impurity H
AR-A02737-01	Atenolol EP Impurity D
AR-A02732-01	Atenolol EP Impurity C
AR-A02744-01	Atenolol EP Impurity J
AR-E09034-01	N-Nitroso Atenolol EP Impurity G
AR-A02736-01	Atenolol EP Impurity G Sodium Salt