≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Carbasalate Calcium Carbasalate calcium (Iromin, Alcacyl, Omegin, Rheomin, Solupsan) is an analgesic, antipyretic, and anti-inflammatory drug as well as a platelet aggregation inhibitor.
In vivo
Calcium carbasalate is an analgesic, antipyretic, and anti-inflammatory drug which seems to cause less gastroduodenal mucosal damage than aspirin in laboratory animals. Carbasalate was found to be well tolerated and is a platelet aggregation inhibitor.
| Pubchem Sid | 504753065 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753065 |
| Canonical Smiles | CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2] |
| IUPAC Name | calcium;2-acetyloxybenzoate;urea |
| InChIKey | VYMUGTALCSPLDM-UHFFFAOYSA-L |
| INCHI | 1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2 |
| Isomeric SMILES | CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2] |
| Molecular Weight | 458.43 |
| Reaxy-Rn | 5471125 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5471125&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Acylsalicylic acids and derivatives |
| Direct Parent | Acylsalicylic acids |
| Alternative Parents | Phenol esters Benzoic acids Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Ureas Carboxylic acid salts Carboxylic acid esters Organic calcium salts Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Acylsalicylic acid - Phenol ester - Benzoic acid - Phenoxy compound - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid salt - Urea - Carbonic acid derivative - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylsalicylic acids. These are o-acylated derivatives of salicylic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2209405 | Certificate of Analysis | Aug 12, 2025 | C413060 |
| K2209409 | Certificate of Analysis | Aug 12, 2025 | C413060 |
| K2209430 | Certificate of Analysis | Aug 12, 2025 | C413060 |
| K2209432 | Certificate of Analysis | Aug 12, 2025 | C413060 |
| K2209466 | Certificate of Analysis | Aug 12, 2025 | C413060 |
| Solubility | Solubility (25°C) In vitro Water: 91 mg/mL (198.5 mM); DMSO: 11 mg/mL (23.99 mM); Ethanol: Insoluble; |
|---|---|
| Molecular Weight | 458.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 458.064 Da |
| Monoisotopic Mass | 458.064 Da |
| Topological Polar Surface Area | 202.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 4 |
