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Dilevalol

CAT: 0931-T25333-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T25333-02Size:5 mg
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CAS Number
75659-07-3
Target
Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9805
Bioactivity
Dilevalol ((+) -Labetalol) is a selective β2-adrenergic receptor agonist and non-selective β-adrenergic receptor blocker used to treat hypertension and angina pectoris.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
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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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