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Oxprenolol-d7

CAT: 0804-HY-B1486ASSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1486ASSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Oxprenolol-d7 is the deuterium labeled Oxprenolol. Oxprenolol (Ba 39089 free base) is an orally bioavailable β-adrenergic receptor (β-AR) antagonist with a Ki of 7.10 nM in a radioligand binding assay using rat heart muscle[1].
CAS Number
1189805-10-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Adrenergic Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Cardiovascular Disease
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])NCC(O)COC1=C(C=CC=C1)OCC=C
Molecular Formula
C15H16D7NO3
Molecular Weight
272.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
3
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Oxprenolol-d7
CAS Number1189805-10-4
PubChem CID46782658
IUPAC Name1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol
Molecular FormulaC15H23NO3
Molecular Weight272.39
XLogP2.1
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity246
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COC1=CC=CC=C1OCC=C)O
InChI
InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3/i2D3,3D3,12D
InChIKey
CEMAWMOMDPGJMB-JLTHDCAWSA-N
Chemical Structure
2D Structure
2D structure of Oxprenolol-d7
CAS: 1189805-10-4
CID: 46782658
Formula: C15H23NO3
MW: 272.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.39
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass272.21173082
Monoisotopic Mass272.21173082
Topological Polar Surface Area50.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity246
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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