Phenylbutazone calcium

Base Information

• Chemical Name: Phenylbutazone calcium
• CAS No.: 70145-60-7
• Deprecated CAS: 36298-23-4,88873-75-0,94006-27-6
• Molecular Formula: C19H19 N2 O2 . 1/2 Ca
• Molecular Weight: 348.49
• European Community (EC) Number: 274-335-8
• UNII: RD7H6MM2DL
• DSSTox Substance ID: DTXSID60957667
• Wikidata: Q27288057
• Mol file: 70145-60-7.mol

Synonyms:Phenylbutazone calcium;70145-60-7;RD7H6MM2DL;PHENYLBUTAZONECALCIUMSALT;DA-241;70145-60-7 (calcium);Phenylbutazone calcium salt;Butazolidin calcium;calcium 4-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-olate;Calcium phenylbutazone;EINECS 274-335-8;UNII-RD7H6MM2DL;P 241;Peralgin (TN);TICINIL CALCICO;1,2-Diphenyl-4-butyl-3,5-diketopyrazolidine calcium salt;starbld0009639;Calcium 4-butyl-1,2-diphenyl-3,5-pyrazolidinedione;DTXSID60957667;3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, calcium salt;calcium bis(4-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1h-pyrazol-3-olate);PHENYLBUTAZONE CALCIUM [WHO-DD];PHENYLBUTAZONE CALCIUM SALT [MI];OP-TOLUENESULFONAMIDE-FORMALDEHYDERESIN;D08363;calcium;4-butyl-5-oxo-1,2-diphenylpyrazol-3-olate;Q27288057;3,5-PYRAZOLIDINEDIONE, 4-BUTYL-1,2-DIPHENYL-, ION(1-), CALCIUM;36298-23-4

Chemical Property of Phenylbutazone calcium

Chemical Property:

• PSA: 72.32000
• LogP: 7.62780
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 654.2518966
• Heavy Atom Count: 47
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

PHENYLBUTAZONE CALCIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Ca+2]
• Uses: Anti-inflammatory, Analgesic