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Bumadizone (calcium)

CAT: 0804-HY-17481ASize: 1 EachDry Ice: NoHazardous: No
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Description
Bumadizone calcium is the calcium salt of Bumadizone. Bumadizone calcium is a non-steroidal anti-inflammatory drug, that exhibits potential in ameliorating chronic inflammatory diseases. Bumadizone calcium is irritant to the gastric lining, which leads to gastric bleeding and ulceration[1].
CAS Number
34461-73-9
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/bumadizone-calcium.html
Smiles
CCCCC(C(O)=O)C(N(C1=CC=CC=C1)NC2=CC=CC=C2)=O.[Ca+2].[0.5]
Molecular Formula
C19H22N2O3.1/2Ca
Molecular Weight
692.86
References & Citations
[1]Nour SA, et al., Bumadizone calcium dihydrate microspheres compressed tablets for colon targeting: formulation, optimization and in vivo evaluation in rabbits. Drug Deliv. 2015 May;22 (3) :286-97.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bumadizone calcium

Bumadizone calcium is an organic calcium salt having 2-[(1,2-diphenylhydrazino)carbonyl]hexanoate as the counterion. Used (as its hemihydrate) for treatment of rheumatoid arthritis. It has a role as a non-steroidal anti-inflammatory drug and an antipyretic. It contains a bumadizone(1-).

CAS Number34461-73-9
PubChem CID36833
IUPAC Namecalcium bis(2-[anilino(phenyl)carbamoyl]hexanoate)
Molecular FormulaC38H42CaN4O6
Molecular Weight690.8
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count49
Formal Charge0
Complexity396
SMILES
CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].[Ca+2]
InChI
InChI=1S/2C19H22N2O3.Ca/c2*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h2*4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;;+2/p-2
InChIKey
RKINNRASCJRSHD-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Bumadizone calcium
CAS: 34461-73-9
CID: 36833
Formula: C38H42CaN4O6
MW: 690.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight690.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass690.2730259
Monoisotopic Mass690.2730259
Topological Polar Surface Area145 Ų
Heavy Atom Count49
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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