Carbaspirin Calcium
Basic information
- CAS
5749-67-7- Standard SMILES
CC(=O)Oc1ccccc1C(=O)[O-].CC(=O)Oc1ccccc1C(=O)[O-].NC(N)=O.[Ca+2]- InChIKey
VYMUGTALCSPLDM-UHFFFAOYSA-L- Molecular formula
- C19H18CaN2O9
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 458.063821
Overview
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Names & identifiers
- Preferred name
- Carbaspirin Calcium
- IUPAC
- calcium;bis(2-acetyloxybenzoate);urea
- English name
- Carbasalate calcium
- Molecular formula
- C10H14CaN2O5
- Molecular weight
- 282.31
Names & synonyms
CARBASPIRIN CALCIUMCalcium carbaspirinN667F17JP1DTXSID90206099carbosalate calciumCalcium carbasalateCalcium acetylsalicylic carbamidateRefChem:574158DTXCID40128590calcium urea bis(2-(acetyloxy)benzoate)227-273-0Carbasalate calcium
Show more names
OmeginAlcacylRheominCarbaspirinComplex with ureaarbasalate calciumCarbasalate CaliumCarbasalac Calcium
5749-67-7Carbasalate calciqueCarbasalato calcicoCarbaspirin calcium [USAN]SolupsanCarbasalate calcium [INN]calcium;2-acetyloxybenzoate;ureaCarbasalate calcium (INN)
Database identifiers
- CAS
5749-67-7、93803-83-9- PubChem CID
- 21975
- DTXSID
DTXSID90206099- ChEMBL
CHEMBL3833325- UNII
- N667F17JP1
Properties
Computed structural properties
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Freely soluble in water and in dimethylformamide, practically insoluble in acetone and in anhydrous methanol.
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C9H8O4.CH4N2O.Ca.2H/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;;;/h2-5H,1H3,(H,11,12);(H4,2,3,4);;;
- InChIKey
- BMMIBWSFPSYDEH-UHFFFAOYSA-N
- SMILES
- C(=O)(N)N.C(C1C=CC=CC=1OC(=O)C)(=O)O.[Ca]
- CAS DataBase Reference
- 5749 · 5749-67-7
- FDA UNII
- 667 F17JP1 · N667F17JP1
- ATC code
- 1 AC08,N02BA15 · B01AC08,N02BA15
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
B - Blood and blood forming organs
QN - Nervous system
QB - Blood and blood forming organs
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
UsesCarbasalate Calcium is an analgesic, antipyretic, and anti-inflammatory drug.
DescriptionCarbasalate calcium is a calcium-urea chelate of aspirin that has analgesic, anti-inflammatory, and antipyretic effects. It reduces carrageenan-induced paw edema in rats.
UsesSalicylate; non-selective cyclo-oxygenase inhibitor; antipyretic; analgesic; antiinflammatory.
UsesCarbasalate Calcium is an analgesic, antipyretic, and anti-inflammatory drug.
Preparation methods
PreparationA method for preparing Carbasalate calcium includes the following steps: (1) Aspirin is added to an alcohol solvent, and ammonia is slowly added dropwise at 5-10°C with stirring to adjust the pH to 6-8.5. Then anhydrous calcium nitrate is added, the temperature is raised to 30-40°C, and the reaction is carried out for 1-1.5 hours; (2) Urea is added to the reaction solution obtained in step (1), and the reaction is carried out at 25-35°C for 20-40 minutes; (3) The reaction solution obtained in step (2) is cooled to 0-5°C, allowed to stand for crystal growth for 0.5-1.5 hours, filtered, and vacuum dried at 40-45°C for 1.5-2.5 hours to obtain Carbasalate calcium.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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