Trimagnesium dicitrate - AR , CAS No.3344-18-1

CAS: 3344-18-1 Cat. No.: T299366 分子式: C₁₂H₁₀Mg₃O₁₄ 分子量: 451.11 EC番号: 222-093-9

GRADE & PURITY AR

Synonyms

Citric acid, magnesium salt (2:3) | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3) | Trimagnesium citrate | Trimagnesium dicitrate | MAGNESIUM CITRATE | RHO26O1T9V | magnesium dicitrate | CITRAMAG | Magnesium citrate (3:2) | MAGNESIUMCI

Storage

Room temperature

Shipped In

Normal

概要

Magnesium citrate (Trimagnesium dicitrate) is an orally active magnesium-containing compound that can cross the blood-brain barrier (BBB). Magnesium citrate can be used as an intestinal cleanser and is studied for its application in laxatives. Magnesium citrate can also increase the pain threshold and is studied for pain-relief purposes

Specifications

同義語

Citric acid, magnesium salt (2:3) | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3) | Trimagnesium citrate | Trimagnesium dicitrate | MAGNESIUM CITRATE | RHO26O1T9V | magnesium dicitrate | CITRAMAG | Magnesium citrate (3:2) | MAGNESIUMCI

仕様と純度

AR

保管条件

Room temperature

入荷

Normal

等級

AR

名前と識別子

パブケム・シド

504764013

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764013

カノニカル・スマイル

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]

IUPAC Name

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

InChIKey

PLSARIKBYIPYPF-UHFFFAOYSA-H

INCHI

1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6

異性体SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]

代替CAS番号

7779-25-1；144-23-0

分子量

451.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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 salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: 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: 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: Slightly soluble in water.
• 感度: Moisture sensitive
• 分子量: 451.120 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 449.962 Da
• Monoisotopic Mass: 449.962 Da
• Topological Polar Surface Area: 281.000 Ų
• Heavy Atom Count: 29
• 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: 5

XLogP3