Basic information
- CAS
34461-73-9- Standard SMILES
CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c1ccccc1.[Ca+2]- InChIKey
RKINNRASCJRSHD-UHFFFAOYSA-L- Molecular formula
- C38H42CaN4O6
- Average molar mass
- 690.8 g/mol
- Monoisotopic mass
- 690.2730259
Overview
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-).
Names & identifiers
- Preferred name
- Bumadizone calcium
- IUPAC
- calcium bis(2-[anilino(phenyl)carbamoyl]hexanoate)
- English name
- calcium bis[2-butyl-3-(1,2-diphenylhydrazino)-3-oxopropionate]
- Molecular formula
- C38H42CaN4O6
- Molecular weight
- 690.84128
Names & synonyms
Bumadizone calcium34461-73-9EumotolBumadizon calciumB-64114 CoBumadizone calcium anhydrousEINECS 252-048-9UNII-142R7TU2TN142R7TU2TNbumadizone calcium saltButylmalonic acid mono(1,2-diphenylhydrazide) calciumCalcium-N-n-butylmalonic acid N,N'-diphenylhydrazide
Show more names
B-64114Rheumotolcalcium bis[2-butyl-3-(1,2-diphenylhydrazino)-3-oxopropionate]Bis[2-(N,N'-diphenylhydrazinocarbonyl)hexanoic acid]calcium salt
anhydrous bumadizone calciumCHEBI:76123Butyl-malonsaure-mono-(1,2-diphenyl-hydrazid)-calzium [German]Propanedioic acid, butyl-, mono(1,2-diphenylhydrazide), calcium salt (2:1)Butyl-malonsaure-mono-(1,2-diphenyl-hydrazid)-calziumDesflam (TN)Eumotol (TN)calcium bis{2-[(1,2-diphenylhydrazino)carbonyl]hexanoate}
Database identifiers
- CAS
34461-73-9- PubChem CID
- 36833
- DTXSID
DTXSID30956006- ChEBI
CHEBI:76123- UNII
- 142R7TU2TN
- EC Number
- 252-048-9
- Nikkaji
- J61.659A
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- FDA UNII
- 142 R7TU2TN · 142R7TU2TN
Chemistry & industry
Applications
UsesBumadizone calcium is the calcium salt of Bumadizone (HY-17481). 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].
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: An organic calcium salt having 2-[(1,2-diphenylhydrazino)carbonyl]hexanoate as the counterion. Used (as its hemihydrate) for treatment of rheumatoid arthritis.
Related reactions
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Compound notes
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