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Phenylbutazone EP Impurity A

CAT: 1299-RM-P050210-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P050210-01Size:10 mg
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CAS Number
3583-64-0
Synonyms
2- (1,2-diphenylhydrazinecarbonyl) hexanoic acid
Molecular Formula
C19H22N2O3
Molecular Weight
326.39
Target Alternative Name
Phenylbutazone
Product Name Synonym
2- (1,2-diphenylhydrazinecarbonyl) hexanoic acid

Chemical Information

Bumadizone

Bumadizone is a carbohydrazide obtained by formal condensation of one of the carboxy groups from butylmalonic acid with the hydrazino group of 1,2-diphenylhydrazine. Used (as its calcium semihydrate) for treatment of rheumatoid arthritis. It has a role as a non-steroidal anti-inflammatory drug and an antipyretic. It is a monocarboxylic acid and a carbohydrazide. It is functionally related to a malonic acid. It is a conjugate acid of a bumadizone(1-).

CAS Number3583-64-0
PubChem CID19161
IUPAC Name2-[anilino(phenyl)carbamoyl]hexanoic acid
Molecular FormulaC19H22N2O3
Molecular Weight326.4
XLogP4.9
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity401
SMILES
CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)
InChIKey
FLWFHHFTIRLFPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bumadizone
CAS: 3583-64-0
CID: 19161
Formula: C19H22N2O3
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass326.16304257
Monoisotopic Mass326.16304257
Topological Polar Surface Area69.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity401
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

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