Carbasalate Calcium - ≥97% , CAS No.5749-67-7

CAS: 5749-67-7 Cat. No.: C413060 分子式: Ca(C₉H₇O₄)₂.CH₄N₂O 分子量: 458.43 EC番号: 227-273-0

GRADE & PURITY ≥97%

Synonyms

Alcacyl; Rheomin; Solupsan; Omegin | AKOS025401461 | Carbasalate calcium (INN) | Carbaspirin calium | D03385 | A831468 | AS-13259 | CARBASALATE CALCIUM [EP MONOGRAPH] | CARBASALATE CALCIUM [MART.] | Carbaspirin calcium (USAN) | CALCIUM ACETYLSALICYLATE CA

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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.

Specifications

同義語

Alcacyl; Rheomin; Solupsan; Omegin | AKOS025401461 | Carbasalate calcium (INN) | Carbaspirin calium | D03385 | A831468 | AS-13259 | CARBASALATE CALCIUM [EP MONOGRAPH] | CARBASALATE CALCIUM [MART.] | Carbaspirin calcium (USAN) | CALCIUM ACETYLSALICYLATE CA

仕様と純度

≥97%

生化学的・生理学的メカニズム

Carbasalate calcium (Iromin, Alcacyl, Omegin, Rheomin, Solupsan) is an analgesic, antipyretic, and anti-inflammatory drug as well as a platelet aggregation inhibitor.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

504753065

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753065

カノニカル・スマイル

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

異性体SMILES

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

分子量

458.43

Reaxy-Rn

5471125

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5471125&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Acylsalicylic acids and derivatives
              • Level8 Acylsalicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro Water: 91 mg/mL (198.5 mM); DMSO: 11 mg/mL (23.99 mM); Ethanol: Insoluble
• 分子量: 458.400 g/mol
• 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

XLogP3

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5749-67-7, the molecular formula is C19H18CaN2O9, and the molecular weight is 458.43 g/mol. InChIKey VYMUGTALCSPLDM-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.