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Labetalol HCl

CAT: 0607-B4795-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B4795-100Size:100 mg
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Description
A mixed α-/β-adrenergic antagonist
CAS Number
32780-64-6
Product Name Alternative
2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.9922
Form
A solid
Solubility
insoluble in H2O; ≥18.24 mg/mL in DMSO; ≥2.98 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl
Molecular Formula
C19H25ClN2O3
Molecular Weight
364.87
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Labetalol Hydrochloride

Labetalol hydrochloride is a member of salicylamides.

CAS Number32780-64-6
PubChem CID71412
IUPAC Name2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
Molecular FormulaC19H25ClN2O3
Molecular Weight364.9
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity385
SMILES
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl
InChI
InChI=1S/C19H24N2O3.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;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H
InChIKey
WQVZLXWQESQGIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Labetalol Hydrochloride
CAS: 32780-64-6
CID: 71412
Formula: C19H25ClN2O3
MW: 364.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass364.1553704
Monoisotopic Mass364.1553704
Topological Polar Surface Area95.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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