Atenolol-d6

CAT: 0804-HY-17498S1Size: 1 EachDry Ice: NoHazardous: No

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Description

Atenolol-d6 ((RS) -Atenolol-d6) is deuterium labeled Atenolol. Atenolol ((RS) -Atenolol) is a cardioselective β1-adrenergic receptor blocker, with a Ki of 697 nM at β1-adrenoceptor in guine pig left ventricle membrane. Atenolol can be used for the research of hypertension and angina pectoris[1][2].

CAS Number

81346-72-7

Product Name Alternative

(RS) -Atenolol-d6

UNSPSC

12352211

Target

Isotope-Labeled Compounds

Related Pathways

Others

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Cancer; Endocrinology; Neurological Disease; Cardiovascular Disease

Smiles

[2H]C([2H])([2H])C(C([2H])([2H])[2H])NCC(O)COC1=CC=C(C=C1)CC(N)=O

Molecular Formula

C14H16D6N2O3

Molecular Weight

272.37

References & Citations

[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.

Shipping Conditions

Room temperature

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Chemical Information

2-[4-(2-Hydroxy-3-{[(1,1,1,3,3,3-~2~H_6_)propan-2-yl]amino}propoxy)phenyl]ethanimidic acid

CAS Number	81346-72-7
PubChem CID	45358921
IUPAC Name	2-[4-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
Molecular Formula	C14H22N2O3
Molecular Weight	272.37
XLogP	0.2
Topological Polar Surface Area	84.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	19
Formal Charge	0
Complexity	263

SMILES

[2H]C([2H])([2H])C(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

InChIKey

METKIMKYRPQLGS-WFGJKAKNSA-N

Chemical Structure

2D Structure

$2D structure of 2-[4-(2-Hydroxy-3-{[(1,1,1,3,3,3-~2~H_6_)propan-2-yl]amino}propoxy)phenyl]ethanimidic acid$

CAS: 81346-72-7

CID: 45358921

Formula: C14H22N2O3

MW: 272.37

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	272.37
XLogP3	0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	272.20070304
Monoisotopic Mass	272.20070304
Topological Polar Surface Area	84.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	263
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-17498-01	Atenolol
HY-17498R-01	Atenolol (Standard)
HY-17498A-01	(S) -Atenolol
HY-B2111-01	(R) - (+) -Atenolol
HY-17498B	Atenolol (hydrochloride)
HY-17498S-01	Atenolol-d7
HY-17498S3	Atenolol-13C6
HY-17498AS-01	(S) -Atenolol-d7
HY-W706908	Des (isopropylamino) atenolol diol-d5
HY-110225-01	Levetiracetam-d6 (ring-d6)

Alternative Products

Catalog	Name
C10460-1g	Atenolol
B6289-10	(S)-(-)-Atenolol
C3031-25	(R)-(+)-Atenolol
259716-01	S-Atenolol
256558-01	S- (-) -Atenolol
T0007L2-01	Atenolol Hydrochloride

Atenolol-d6

Chemical Information

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