Sodium citrate - ≥98% , CAS No.68-04-2

CAS: 68-04-2 Cat. No.: S189183 Formula: C₆H₅O₇Na₃ Molecular Weight: 258.07 EC Number: 200-675-3

GRADE & PURITY ≥98%

Synonyms

Oracit | Natrocitral | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt | anhydrous sodium citrate | SODIUM CITRATE (USP IMPURITY) | Sodium citrate,anhydrous | Citrosodina | INS-331(III) | Modified Shohl's Solution

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Trisodium citrate has a molecular weight of 258 Da. It has a high sodium content and a filtration coefficient.

Product Application:

Trisodium citrate has been used as a component of mobile phase buffer for HPLC analysis of dorsal striatum homogenate. As NiW codeposition electrolyte; As a component of sodium citrate buffer (SSC), it is used in the washing step of probe hybridization

Specifications

Synonyms

Oracit | Natrocitral | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt | anhydrous sodium citrate | SODIUM CITRATE (USP IMPURITY) | Sodium citrate,anhydrous | Citrosodina | INS-331(III) | Modified Shohl's Solution

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Citric acid trisodium salt as a 4% solution is used commercially as an anticoagulant during blood storage. It is used in continuous renal replacement therapy (CRRT) as an regional citrate anticoagulation (RCA) agent. Citric acid trisodium salt is used as

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488180024

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180024

Canonical Smiles

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]

IUPAC Name

trisodium;2-hydroxypropane-1,2,3-tricarboxylate

InChIKey

HRXKRNGNAMMEHJ-UHFFFAOYSA-K

INCHI

1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]

Molecular Weight

258.07

Reaxy-Rn

3920956

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3920956&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Tertiary alcohols Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: organic sodium salt

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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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Associated Targets(non-human)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

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Carbonic anhydrase (69 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.425 g/l at 25℃
• Sensitivity: Hygroscopic.
• Melt Point(°C): 150 °C (decomposition)
• Molecular Weight: 258.070 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 257.973 Da
• Monoisotopic Mass: 257.973 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 211.000
• 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

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