Skip to the beginning of the images gallery

Labetalone HCl - 98%, high purity , CAS No.96441-14-4

COA

Grade & Purity:

≥98%

Cas Number: 96441-14-4
Molecular Weight: 362.85
PubChem CID: 51066502
PubChem SID: 504771016

In stock

Item Number

L354323

Grouped product items
SKU	Size	Availability	Price	Qty
L354323-1g	1g	2	$89.90
L354323-5g	5g	2	$308.90

View related series

Drug Metabolite (241) Metabolic Enzyme/Protease (4860) Metabolite (5307)

Basic Description

Synonyms	2-hydroxy-5-{2-[(4-phenylbutan-2-yl)amino]acetyl}benzamide hydrochloride \| Labetalone (hydrochloride) \| Labetalone HCl \| AKOS015902718 \| AS-12814 \| EC 700-288-4 \| 2-HYDROXY-5-(2-(4-PHENYLBUTAN-2-YLAMINO)ACETYL)BENZAMIDE HYDROCHLORIDE \| LABETALONE HYDROCHL
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Salicylamides Benzamides Benzoyl derivatives Aryl alkyl ketones Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Alpha-amino ketones Primary carboxylic acid amides Amino acids and derivatives Dialkylamines Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Salicylamide - Salicylic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Vinylogous acid - Carboxamide group - Amino acid or derivatives - Primary carboxylic acid amide - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Amine - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504771016
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771016
IUPAC Name	2-hydroxy-5-[2-(4-phenylbutan-2-ylamino)acetyl]benzamide;hydrochloride
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
Smiles	CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)N.Cl
Isomeric SMILES	CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)N.Cl
Molecular Weight	362.85
Reaxy-Rn	50927490
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50927490&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
G2215597	Certificate of Analysis	Apr 07, 2025	L354323
G2215592	Certificate of Analysis	Apr 07, 2025	L354323

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Melt Point(°C)	217-220° C
Molecular Weight	362.800 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	362.14 Da
Monoisotopic Mass	362.14 Da
Topological Polar Surface Area	92.400 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	421.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration