ChemicalBook--->CAS DataBase List--->96441-14-4

96441-14-4

96441-14-4 Structure

96441-14-4 Structure
IdentificationBack Directory
[Name]

Labetalone hydrochloride
[CAS]

96441-14-4
[Synonyms]

BENZOYLAMIDE
BENZOIC AMIDE
benzenecarbonamide
Labetalol EP impurity F
Labetalol Impurity F HCl
Labetalone hydrochloride
Labetalol EP Impurity F HCl
LABETALONE HYDROCHLORIDE 98.0+%
rac-Keto Labetalol Hydrochloride (~90%)
Labetalone hydrochloride (Labetalol hydrochloride)
2-hydroxy-5-[2-(4-phenylbutan-2-ylamino)acetyl]benzamide
2-HYDROXY-5-[[(1-METHYL-3-PHENYLPROPYL)AMINO]ACETYL]BENZAMIDE HCl
2-Hydroxy-5-(2-(4-phenylbutan-2-ylamino)acetyl)benzamide hydrochloride
Labetalol Hydrochloride Impurity 6 (Labetalol Hydrochloride EP Impurity F)
[EINECS(EC#)]

200-227-7
[Molecular Formula]

C19H22N2O3.ClH
[MDL Number]

MFCD00007968
[MOL File]

96441-14-4.mol
[Molecular Weight]

362.86
Chemical PropertiesBack Directory
[Melting point ]

125-128 °C(lit.)
[Boiling point ]

523.92℃[at 101 325 Pa]
[storage temp. ]

Store at -20°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Water Solubility ]

28.61mg/L at 25℃
[Major Application]

pharmaceutical (small molecule)
[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]

Cl.N(C(CCc2ccccc2)C)CC(=O)c1cc(c(cc1)O)C(=O)N
[LogP]

3.58
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

22-24/25
[WGK Germany ]

1
[RTECS ]

CU8700000
[REACH Registrations]

Active
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Labetalone hydrochloride is hydrochloride form of labetalone. Labetalol is an orally active adrenoceptor blocking drug which is a competitive antagonist at both alpha- and beta-adrenoceptor sites. Labetalone hydrochloride is used as an antihypertensive.
[Uses]

rac-Keto Labetalol Hydrochloride is an impurity of Labetalol (L096495), a specific competitive antagonist at both a-and b-adrenergic receptor sites. Labetalol is used as an antihypertensive.
Spectrum DetailBack Directory
[Spectrum Detail]

Labetalone hydrochloride(96441-14-4)1HNMR
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