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Guacetisal (Standard)

CAT: 0804-HY-17477R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17477R-01Size:5 mg
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Description
Guacetisal (Standard) is the analytical standard of Guacetisal. This product is intended for research and analytical applications. Guacetisal suppresses the synthesis of prostaglandin PG. Guacetisal is obtained from the esterification of acetylsalicylic acid with guaiacol which has the potential for chronic bronchitis treatment extracted from patent CN 106866420 A.
CAS Number
55482-89-8
UNSPSC
12352005
Target
Prostaglandin Receptor; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/guacetisal-standard.html
Smiles
O=C(OC1=CC=CC=C1OC)C2=CC=CC=C2OC(C)=O
Molecular Formula
C16H14O5
Molecular Weight
286.28
References & Citations
[1]Li, Junguang, et al. Guacetisal crystal form compound and its preparation method. CN 106866420 A.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Guacetisal

Guacetisal is a carbonyl compound.

CAS Number55482-89-8
PubChem CID68749
IUPAC Name(2-methoxyphenyl) 2-acetyloxybenzoate
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP2.9
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity368
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2OC
InChI
InChI=1S/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3
InChIKey
HSJFYRYGGKLQBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Guacetisal
CAS: 55482-89-8
CID: 68749
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area61.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity368
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

CatalogName
BUP09797-01Guacetisal
A18076-2Guacetisal 2mg
A18076-10Guacetisal 10mg
A18076-5Guacetisal 5mg
A18076-200Guacetisal 200mg
A18076-50Guacetisal 50mg
A18076-100Guacetisal 100mg
A18076-25Guacetisal 25mg
A18076-10mM-DGuacetisal 10mM * 1mL in DMSO
abx098967-01Standard

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