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Atehexal-d7

CAT: 0931-TMID-0280-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0280-01Size:1 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
Target
Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
Atehexal-d7 is a deuterated compound of Atehexal. Atehexal has a CAS number of 29122-68-7. Atenolol is a selective β1 receptor antagonist.
Smiles
O(CC(CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])O)C1=CC=C(CC(N)=O)C=C1
Molecular Formula
C14H15D7N2O3
Molecular Weight
273.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°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
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
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)
MBS6047775-01Carbaryl-d7 (1-Naphthalenol Methylcarbamate-d7, 1-Naphtyl N-Methylcarbamate-d7, ENT-23969-d7, OMS-29-d7, UC-7744-d7, Carylderm-d7, Derbac-d7, Ravyon-d7, Sevin-d7)
C1082Carbaryl-d7 (1-Naphthalenol Methylcarbamate-d7, 1-Naphtyl N-Methylcarbamate-d7, _x000B_ENT-23969-d7, OMS-29-d7, UC-7744-d7, Carylderm-d7, Derbac-d7, Ravyon-d7, Sevin-d7)
CS-T-103010Isocarbofos D7 (isopropyl D7)
AR-P33051-01Prostacyclin-d7 (Epoprostenol-d7)
RM-P181528-01Propranolol-D7 (Naphthalenyl-D7)
CS-C-01232(+/-) -Ropivacaine-d7 (propyl-d7)
HY-B0573S1-01Propranolol-d7 (ring-d7)
TRC-F598826-100MGFlurprimidol D7 (Isopropyl D7)

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