Labetalol

HCID 3869CAS 36894-69-6

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Basic information

Standard SMILES
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIKey
SGUAFYQXFOLMHL-UHFFFAOYSA-N
Molecular formula
C19H24N2O3
Average molar mass
328.412 g/mol
Monoisotopic mass
328.17869263

Names & identifiers

Preferred name
Labetalol
IUPAC
2-Hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
English name
Labetalol
Molecular formula
C19H24N2O3
Molecular weight
328.41

Names & synonyms

LABETOLOLLaβlolah5158albetolLABEIM-BLABETALOLibidomideSeH-15719WLabeint-A8Labetalol (AH-5158

Database identifiers

CAS
36894-69-6
PubChem CID
3869
DTXSID
DTXSID2023191
ChEMBL
CHEMBL429
ChEBI
CHEBI:6343
UNII
R5H8897N95
EC Number
253-258-3
Nikkaji
J19.703C

Properties

Physicochemical properties

Melting point
188 °C · 188 °C
Boiling point
552.7 · 552.7±50.0 °C(Predicted)
Density
1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
125 mg/mL · DMSO : 125 mg/mL (380.62 mM; Need ultrasonic)
pka
7.41 · pKa 7.41 ± 0.01;9.36± 0.01(H2O,t =25,I=0.15(KCl),Ar)(Approximate)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07,GHS08,GHS09
Hazard statements
H335-H411-H315-H361-H319
REACH Registrations
Active
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Hazardous Substances Data
36894-69-6(Hazardous Substances Data)

Chemistry & industry

Applications · 4 items

DescriptionLabetalol is an α-adrenergic and α-1 blocking agent which caused contact dermatitis and a contact anaphylactoid reaction during patch testing in a nurse.

UsesLabetalol is used to treat essential hypertension.

UsesAnti-adrenergic (α-receptor); anti-adrenergic (β-receptor).

General DescriptionLabetalol is a phenylethanolamine derivative, is representative of a classof drugs that act as competitive blockers at α1-, β1-, andβ2-receptors. It is a more potent β-blocker than α-blocker.Because it has two asymmetric carbon atoms (1 and 1' ), it existsas a mixture of four isomers. It is this mixture that is usedclinically in treating hypertension. The different isomers,however, possess different α- and β-blocking activities. The -blocking activity resides solely in the (1R,1 'R) isomer,whereas the 1-blocking activity is seen in the (1S,1 R) and(1S,1'S) isomers, with the (1S,1'R) isomer possessing thegreater therapeutic activity.

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Additional notes · 1 item

DefinitionChEBI: A secondary amino compound formally derived from ammonia by replacing two of the hydrogens by 2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl and 4-phenylbutan-2-yl groups. It is an adrenergic antagonist used to treat high blood pressure.

Related reactions

1 records

Linked notes

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