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Bucloxic acid

CAT: 0013-GTR19203882-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203882-02Size:50 mg
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Description
Bucloxic acid is a pyrazole-based anti-inflammatory compound investigated for chronic glomerular nephropathy treatment. Research applications include in vitro studies on inflammatory pathways and in vivo models of renal disease to elucidate its therapeutic mechanisms.
CAS Number
32808-51-8
Field of Research
Pharmacology & Drug Discovery
Smiles
ClC1=C (C=CC (C (CCC (O) =O) =O) =C1) C2CCCCC2
Molecular Formula
C16H19ClO3
Molecular Weight
294.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bucloxic Acid

Bucloxic acid is an aromatic ketone.

CAS Number32808-51-8
PubChem CID93159
IUPAC Name4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid
Molecular FormulaC16H19ClO3
Molecular Weight294.77
XLogP4.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity350
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)O)Cl
InChI
InChI=1S/C16H19ClO3/c17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)
InChIKey
IJTPQQVCKPZIMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bucloxic Acid
CAS: 32808-51-8
CID: 93159
Formula: C16H19ClO3
MW: 294.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.77
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass294.1022722
Monoisotopic Mass294.1022722
Topological Polar Surface Area54.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity350
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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HBA80851-01Bucloxic acid
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