Carbasalate calcium

Base Information

• Chemical Name: Carbasalate calcium
• CAS No.: 93803-83-9
• Deprecated CAS: 6767-72-2,525-29-1,3063-60-3
• Molecular Formula: C19H18 Ca N2 O9
• Molecular Weight: 458.43
• European Community (EC) Number: 227-273-0
• UNII: N667F17JP1
• DSSTox Substance ID: DTXSID90206099
• Wikipedia: Carbasalate_calcium
• Wikidata: Q2203957
• NCI Thesaurus Code: C82300
• ChEMBL ID: CHEMBL3833325
• Mol file: 93803-83-9.mol

Synonyms:calcium acetylsalicylate complex with urea;calcium acetylsalicylic carbamidate;calcium carbasalate;calurin;carbaspirin calcium;carbosalate calcium

Chemical Property of Carbasalate calcium

Chemical Property:

• PSA: 202.96000
• LogP: 0.18870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 458.0638210
• Heavy Atom Count: 31
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]
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