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Oxyphenbutazone

CAT: 0024-sc-212491ASize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-212491ASize:50 mg
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CAS Number
129-20-4

Chemical Information

Oxazolidin

Oxyphenbutazone is a metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. It has a role as an antimicrobial agent, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an antineoplastic agent, a gout suppressant, a drug metabolite and a xenobiotic metabolite. It is a member of phenols and a member of pyrazolidines. It is functionally related to a phenylbutazone.

CAS Number129-20-4
PubChem CID4641
IUPAC Name4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
Molecular FormulaC19H20N2O3
Molecular Weight324.4
XLogP2.7
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity454
SMILES
CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
InChIKey
HFHZKZSRXITVMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxazolidin
CAS: 129-20-4
CID: 4641
Formula: C19H20N2O3
MW: 324.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass324.14739250
Monoisotopic Mass324.14739250
Topological Polar Surface Area60.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity454
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
019052Oxyphenbutazone
80-1249Oxyphenbutazone-HRP
HY-B1355AROxyphenbutazone (Standard)
019053Oxyphenbutazone-d9
MBS340351-01Phenylbutazone/Oxyphenbutazone
HY-B1355AS1-01Oxyphenbutazone-13C6
FO35392-01Oxyphenbutazone hydrate
227111Oxyphenbutazone (HRP)
MBS5814647Oxyphenbutazone monohydrate
MBS622688-01Phenylbutazone (Oxyphenbutazone)

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