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Hydroxybupropion

CAT: 0804-HY-100637-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100637-03Size:10 mg
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Description
Hydroxybupropion is the major active metabolite of Bupropion. Hydroxybupropion is metabolized by CYP2B6. Bupropion is an atypical antidepressant and smoking-cessation agent. Hydroxybupropion inhibits norepinephrine uptake with an IC50 value of 1.7 μM. Hydroxybupropion is also a nACh receptor antagonist[1] .
CAS Number
92264-81-8
UNSPSC
12352005
Hazard Statement
H225, H302+H312+H332, H319
Target
Adrenergic Receptor; Drug Metabolite; nAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/hydroxybupropion.html
Purity
99.91
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(NC(C)(C)CO)C(C1=CC=CC(Cl)=C1)=O
Molecular Formula
C13H18ClNO2
Molecular Weight
255.74
Precautions
H225, H302+H312+H332, H319
References & Citations
[1]Damaj MI, et al. Enantioselective effects of hydroxy metabolites of bupropion on behavior and on function of monoamine transporters and nicotinic receptors. Mol Pharmacol. 2004 Sep;66 (3) :675-82.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hydroxybupropion

Hydroxybupropion is an aromatic ketone.

CAS Number92264-81-8
PubChem CID446
IUPAC Name1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one
Molecular FormulaC13H18ClNO2
Molecular Weight255.74
XLogP2.2
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity268
SMILES
CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CO
InChI
InChI=1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3
InChIKey
AKOAEVOSDHIVFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxybupropion
CAS: 92264-81-8
CID: 446
Formula: C13H18ClNO2
MW: 255.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.74
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass255.1026065
Monoisotopic Mass255.1026065
Topological Polar Surface Area49.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
SDA26481-01Hydroxybupropion
FH23927-01(±) -Hydroxybupropion
sc-397450AHydroxybupropion-d8
TRC-S250490-1MG(2S,3S)-Hydroxybupropion Hydrochloride
CS-EK-02184Hydroxybupropion hydrochloride 13C6
279858-01(2S,3S) -Hydroxybupropion hydrochloride
RM-B161612-01Bupropion Hydroxy Impurity; Hydroxybupropion
D3570-25Rac erythro-Dihydrobupropion (rac erythro-Hydroxybupropion)
D3570-27Rac threo-Dihydrobupropion (threo-Hydroxybupropion)
D3570-26Rac erythro Dihydrobupropion-d9 (erythro-Hydroxybupropion-d9) discontinued

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