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Atenolol-d7

CAT: 0804-HY-17498S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17498S-01Size:1 mg
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Description
Atenolol-d7 is the deuterium labeled Atenolol. Atenolol ((RS) -Atenolol) is a cardioselective β1-adrenergic receptor blocker, with a Ki of 697 nM atβ1-adrenoceptor in guine pig left ventricle membrane. Atenolol can be used for the research of hypertension and angina pectoris[1][2].
CAS Number
1202864-50-3
Product Name Alternative
(RS) -Atenolol-d7
UNSPSC
12352005
Hazard Statement
H225, H302, H312, H319, H332
Target
Adrenergic Receptor
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease; Endocrinology
Purity
99.62
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 8.33mg/mL (ultrasonic)
Smiles
O=C(N)CC1=CC=C(OCC(O)CNC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])C=C1
Molecular Formula
C14H15D7N2O3
Molecular Weight
273.38
Precautions
H225, H302, H312, H319, H332
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Heel RC, et al. Atenolol: a review of its pharmacological properties and therapeutic efficacy in angina pectoris and hypertension. Drugs. 1979;17 (6) :425-460.|[3]Engel G, et al. (+/-) [125Iodo] cyanopindolol, a new ligand for beta-adrenoceptors: identification and quantitation of subclasses of beta-adrenoceptors in guinea pig. Naunyn Schmiedebergs Arch Pharmacol. 1981;317 (4) :277-285.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

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
Loading 3D structure...
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
TRC-A790087-5MG(S)-Atenolol-d7
TRC-N790077-10MGN-Nitroso Atenolol-D7
441881-01Atenolol-d7 β-D-Glucuronide
TRC-A790092-50MGAtenolol-d7 beta-D-Glucuronide
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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