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(R) -Metoprolol-d7

CAT: 0804-HY-17503S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17503S1-01Size:1 mg
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Description
(R) -Metoprolol-d7 is the deuterium labeled Metoprolol. Metoprolol (Toprol) is a selective β1 receptor blocker used in treatment of several diseases of the cardiovascular system, especially hypertension[1][2].
CAS Number
1292907-84-6
UNSPSC
12352005
Target
Adrenergic Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Cardiovascular Disease; Endocrinology
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])NC[C@@H](O)COC1=CC=C(C=C1)CCOC
Molecular Formula
C15H18D7NO3
Molecular Weight
274.41
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Benfield P, et al. Metoprolol. An updated review of its pharmacodynamic and pharmacokinetic properties, and therapeutic efficacy, in hypertension, ischaemic heart disease and related cardiovascular disorders. Drugs. 1986 May;31 (5) :376-429.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(R)-Metoprolol-d7
CAS Number1292907-84-6
PubChem CID71750718
IUPAC Name(2R)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Molecular FormulaC15H25NO3
Molecular Weight274.41
XLogP1.9
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity215
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@H](COC1=CC=C(C=C1)CCOC)O
InChI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m1/s1/i1D3,2D3,12D
InChIKey
IUBSYMUCCVWXPE-ZOUKVZROSA-N
Chemical Structure
2D Structure
2D structure of (R)-Metoprolol-d7
CAS: 1292907-84-6
CID: 71750718
Formula: C15H25NO3
MW: 274.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.41
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass274.22738088
Monoisotopic Mass274.22738088
Topological Polar Surface Area50.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity215
Isotope Atom Count7
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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