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Labetalone hydrochloride

CAT: 0013-GTR19172195-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19172195-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Labetalol hydrochloride is an orally active, non-selective adrenergic antagonist that competitively blocks both α- and β-receptors. It is widely used in research to study hypertension mechanisms and adrenergic signaling in both in vitro assays and in vivo animal models.
CAS Number
96441-14-4
Product Name Alternative
Inhibitor, inhibit, Labetalone, Labetalone hydrochloride, Labetalone Hydrochloride, Benzoic amide, Benzoic Amide, AdrenergicReceptor, Adrenergic Receptor, α-adrenergic receptor; β-adrenoceptor
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
99.06% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.51 mM) ; DMSO:27.5 mg/mL (75.79 mM)
Smiles
Cl.CC (CCc1ccccc1) NCC (=O) c1ccc (O) c (c1) C (N) =O
Molecular Formula
C19H23ClN2O3
Molecular Weight
362.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Labetalone hydrochloride

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CAS Number96441-14-4
PubChem CID51066502
IUPAC Name2-hydroxy-5-[2-(4-phenylbutan-2-ylamino)acetyl]benzamide;hydrochloride
Molecular FormulaC19H23ClN2O3
Molecular Weight362.8
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity421
SMILES
CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)N.Cl
InChI
InChI=1S/C19H22N2O3.ClH/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;/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24);1H
InChIKey
DJHFVUYXWAEVRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Labetalone hydrochloride
CAS: 96441-14-4
CID: 51066502
Formula: C19H23ClN2O3
MW: 362.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass362.1397203
Monoisotopic Mass362.1397203
Topological Polar Surface Area92.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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