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6-Hydroxy Chlorzoxazone

CAT: 0804-HY-W016221-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W016221-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-Hydroxy Chlorzoxazone is a metabolite of Chlorzoxazone. Chlorzoxazone is a centrally acting muscle relaxant used to treat muscle spasm and the resulting pain or discomfort[1].
CAS Number
1750-45-4
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/6-hydroxy-chlorzoxazone.html
Purity
98.11
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
ClC1=CC(N=C2O)=C(O2)C=C1O
Molecular Formula
C7H4ClNO3
Molecular Weight
185.57
Precautions
H315, H319, H335
References & Citations
[1]Elbarbry F, et al. Studying the Inhibitory Effect of Quercetin and Thymoquinone on Human Cytochrome P450 Enzyme Activities. Pharmacogn Mag. 2018 Jan;13 (Suppl 4) :S895-S899.
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

6-Hydroxychlorzoxazone

6-Hydroxychlorzoxazone is a benzoxazole.

CAS Number1750-45-4
PubChem CID2734
IUPAC Name5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
Molecular FormulaC7H4ClNO3
Molecular Weight185.56
XLogP1.4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity211
SMILES
C1=C2C(=CC(=C1Cl)O)OC(=O)N2
InChI
InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)
InChIKey
AGLXDWOTVQZHIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxychlorzoxazone
CAS: 1750-45-4
CID: 2734
Formula: C7H4ClNO3
MW: 185.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.56
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass184.9879707
Monoisotopic Mass184.9879707
Topological Polar Surface Area58.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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