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Dilevalol

CAT: 0013-GTR19199295-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199295-02Size:5 mg
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Description
Dilevalol is the RR-stereoisomer of labetalol, functioning as a non-cardioselective β-adrenoceptor antagonist with significant intrinsic β2-agonist activity and minimal α1-blockade. It is used in cardiovascular research to study partial agonist effects on blood pressure and vascular tone in both in vitro and in vivo experimental models.
CAS Number
75659-07-3
Product Name Alternative
Dilevalol, Dilevalolum
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.05% (May vary between batches)
Smiles
[C@@H] (CN[C@@H] (CCC1=CC=CC=C1) C) (O) C2=CC (C (N) =O) =C (O) C=C2
Molecular Formula
C19H24N2O3
Molecular Weight
328.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Labetalol

(R,R)-labetalol is a 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2R-configuration. It is a conjugate base of a dilevalol(1+).

CAS Number75659-07-3
PubChem CID134044
IUPAC Name2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
Molecular FormulaC19H24N2O3
Molecular Weight328.4
XLogP3.1
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity385
SMILES
C[C@H](CCC1=CC=CC=C1)NC[C@@H](C2=CC(=C(C=C2)O)C(=O)N)O
InChI
InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)/t13-,18+/m1/s1
InChIKey
SGUAFYQXFOLMHL-ACJLOTCBSA-N
Chemical Structure
2D Structure
2D structure of (+)-Labetalol
CAS: 75659-07-3
CID: 134044
Formula: C19H24N2O3
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass328.17869263
Monoisotopic Mass328.17869263
Topological Polar Surface Area95.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775066Dilevalol
FL24822-01Dilevalol hydrochloride
HY-119485AS-01Dilevalol-d3 (hydrochloride)

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