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(S)-Atenolol

CAT: 0572-TRC-A790085-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A790085-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93379-54-5
Synonyms
Benzeneacetamide, 4-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-; Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (S)-; 4-[(2S)-2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide; (-)-Atenolol; (S)-Atenolol; Esatenolol; S-(-)-Atenolol
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC(C)NC[C@H](O)COc1ccc(CC(=O)N)cc1
Molecular Formula
C14 H22 N2 O3
Molecular Weight
266.34
InChI
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1
Additionnal Information
IUPAC name: 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Esatenolol

Esatenolol is the (S)-enantiomer of atenolol. It has a role as a beta-adrenergic antagonist.

CAS Number93379-54-5
PubChem CID175540
IUPAC Name2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Molecular FormulaC14H22N2O3
Molecular Weight266.34
XLogP0.2
Topological Polar Surface Area84.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity263
SMILES
CC(C)NC[C@@H](COC1=CC=C(C=C1)CC(=O)N)O
InChI
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1
InChIKey
METKIMKYRPQLGS-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Esatenolol
CAS: 93379-54-5
CID: 175540
Formula: C14H22N2O3
MW: 266.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.34
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass266.16304257
Monoisotopic Mass266.16304257
Topological Polar Surface Area84.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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