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Bucetin

CAT: 0931-T0442-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T0442-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1083-57-4
Target
Others
Related Pathways
Others
Purity
0.9995
Bioactivity
Bucetin (3-Hydroxy-p-butyrophenetidide) is a pharmaceutical drug that functions as an analgesic and antipyretic. It was withdrawn from use in 1986 due to renal toxicity.
Smiles
CCOc1ccc(NC(=O)CC(C)O)cc1
Molecular Formula
C12H17NO3
Molecular Weight
223.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bucetin

Bucetin is an organic molecular entity.

CAS Number1083-57-4
PubChem CID14130
IUPAC NameN-(4-ethoxyphenyl)-3-hydroxybutanamide
Molecular FormulaC12H17NO3
Molecular Weight223.27
XLogP1.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity212
SMILES
CCOC1=CC=C(C=C1)NC(=O)CC(C)O
InChI
InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
InChIKey
LIAWQASKBFCRNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bucetin
CAS: 1083-57-4
CID: 14130
Formula: C12H17NO3
MW: 223.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.27
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass223.12084340
Monoisotopic Mass223.12084340
Topological Polar Surface Area58.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity212
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
162959Bucetin
A15631-5000Bucetin 5g
A15631-250Bucetin 250mg
A15631-1000Bucetin 1g
A15631-500Bucetin 500mg
A15631-100Bucetin 100mg
A15631-10mM-DBucetin 10mM * 1mL in DMSO

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