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Lofexidine (hydrochloride)

CAT: 0804-HY-B1052-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1052-01Size:50 mg
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Description
Lofexidine (hydrochloride) is a selective α2-receptor agonist, commonly used to alleviate the physical symptoms of heroin and other types of opioid withdrawal[1][2].
CAS Number
21498-08-8
Product Name Alternative
Baq-168; MDL-14042
UNSPSC
12352005
Hazard Statement
H301
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Neurological Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/Lofexidine-hydrochloride.html
Purity
99.74
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : ≥ 100 mg/mL
Smiles
CC(C1=NCCN1)OC2=C(Cl)C=CC=C2Cl.[H]Cl
Molecular Formula
C11H13Cl3N2O
Molecular Weight
295.59
Precautions
H301
References & Citations
[1]Vartak AP, et al. The preclinical discovery of lofexidine for the treatment of opiate addiction. Expert Opin Drug Discov. 2014 Nov;9 (11) :1371-7.|[2]Gish EC, et al. Lofexidine, an {alpha}2-receptor agonist for opioid detoxification. Ann Pharmacother. 2010 Feb;44 (2) :343-51.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
α adrenergic receptor

Chemical Information

Lofexidine Hydrochloride

See also: Lofexidine (has active moiety).

CAS Number21498-08-8
PubChem CID30667
IUPAC Name2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.6
Topological Polar Surface Area33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity263
SMILES
CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl
InChI
InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H
InChIKey
DWWHMKBNNNZGHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lofexidine Hydrochloride
CAS: 21498-08-8
CID: 30667
Formula: C11H13Cl3N2O
MW: 295.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass294.009346
Monoisotopic Mass294.009346
Topological Polar Surface Area33.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity263
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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