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Atenolol-d7

CAT: 0572-TRC-A790077-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A790077-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1202864-50-3
Synonyms
Atenolol D7; Benzeneacetamide, 4-[2-hydroxy-3-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]propoxy]-; 4-[2-Hydroxy-3-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]propoxy]benzeneacetamide; Atenolol-d7; Atenolol D7 (Isopropyl D7)
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])(NCC(O)COc1ccc(CC(=O)N)cc1)C([2H])([2H])[2H]
Molecular Formula
C14 D7 H15 N2 O3
Molecular Weight
273.379
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)/i1D3,2D3,10D
Additionnal Information
IUPAC name: 2-[4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-(2-Hydroxy-3-((1-(methyl-d3)ethyl-1,2,2,2-d4)amino)propoxy)benzeneacetamide
CAS Number1202864-50-3
PubChem CID46780487
IUPAC Name2-[4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
Molecular FormulaC14H22N2O3
Molecular Weight273.38
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
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(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)/i1D3,2D3,10D
InChIKey
METKIMKYRPQLGS-SVMCCORHSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Hydroxy-3-((1-(methyl-d3)ethyl-1,2,2,2-d4)amino)propoxy)benzeneacetamide
CAS: 1202864-50-3
CID: 46780487
Formula: C14H22N2O3
MW: 273.38
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.38
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass273.20697979
Monoisotopic Mass273.20697979
Topological Polar Surface Area84.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity263
Isotope Atom Count7
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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Alternative Products

CatalogName
AR-A02729-01Atenolol-d7
JCC28325-01(R) -Atenolol-d7
HY-17498AS-01(S) -Atenolol-d7
441881-01Atenolol-d7 β-D-Glucuronide
AR-A07261-01N-Nitroso Atenolol-d7
AR-A02740-01Atenolol
A3927-01Atenolol-d7 (4-[2-Hydroxy-3-[ (1-methyl-ethyl-d7) amino]propoxyl]benzeneacetamide, ICI-66082-d7, Atehexal-d7, Atenol-d7, Cuxanorm-d7, Uniloc-d7)
MBS6044598-01Atenolol-d7 (4-[2-Hydroxy-3-[(1-methyl-ethyl-d7)amino]propoxyl]benzeneacetamide, ICI-66082-d7, Atehexal-d7, Atenol-d7, Cuxanorm-d7, Uniloc-d7)

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