Bismuth Subcitrate Potassium - Moligand™, ≥98% , CAS No.880149-29-1

CAS: 880149-29-1 Cat. No.: B413092 Molecular Weight: 782.67 PubChem CID: 53297469

GRADE & PURITY Moligand™, ≥98%

Synonyms

1,2,3-Propanetricarboxylic acid,2-hydroxy-,bismuth(3+) potassium salt (2:1:5)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Bismuth Subcitrate is an antibiotic used to treat stomach ulcers associated with Helicobacter pylori, a bacterial infection.

In vitro

Colloidal Bismuth Subcitrate is crystallized in dilute HCl at pH 3, and unique assembly of three basic bismuth citrate dimeric units ([Bi(cit)2Bi]2-) leads to the formation of two-dimensional sheets and 3D polymer, the solubility of Colloidal Bismuth Subcitrate in water is found to be dramatically affected by pH, from >70 mg/mL at pH 7 to only about 1 mg/mL at pH 3. Bismuth Subcitrate is effective against the 12 C. pyloridis strains with MIC50 of 8 μg/mL. Bismuth Subcitrate combined with oxolinic acid exhibits synergistic activity against the 12 C. pyloridis strains. Colloidal bismuth subcitrate (5 mg/mL) significantly increases the frequencies of sister-chromatid exchange (SCE) and micronucleus rate in peripheral lymphocytes compared with controls in human whole blood cultures. Bismuth Subcitrate (100μM) inhibits Helicobacter pyloriF1-ATPase activity, and inhibition is prevented and reversed by the mercaptan glutathione, indicating that Bismuth Subcitrate interfere with sulfhydryl groups of the enzyme. Colloidal Bismuth Subcitrate (150 mg/mL) inhibits the lipolytic activity of C. pylori filtrate, causing a 21% reduction in lipase activity and a 60% reduction in the activity of phospholipase A.

Specifications

Synonyms

1, 2, 3-Propanetricarboxylic acid, 2-hydroxy-, bismuth(3+) potassium salt (2:1:5)

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Bismuth Subcitrate is an antibiotic used to treat stomach ulcers associated with Helicobacter pylori, a bacterial infection.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Product Properties

• ALogP: -11.482
• Rotatable Bond: 10

Names and Identifiers

• Pubchem Sid: 504771131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771131
• Canonical 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.[K+].[K+].[K+].[K+].[K+].[Bi+3]
• IUPAC Name: bismuth;pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate
• InChIKey: PSMGOGIPZBBORN-UHFFFAOYSA-H
• INCHI: 1S/2C6H8O7.Bi.5K/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;5*+1/p-6
• Isomeric 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.[K+].[K+].[K+].[K+].[K+].[Bi+3]
• PubChem CID: 53297469
• Molecular Weight: 782.67

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 potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Organic cation - 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: 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro Water: 141 mg/mL (180.15 mM); DMSO: Insoluble; Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: ＜1
• Water(mg / mL) Max Solubility: 100
• Water(mM) Max Solubility: 127.7677693
• Molecular Weight: 782.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 781.806 Da
• Monoisotopic Mass: 781.806 Da
• Topological Polar Surface Area: 281.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 2
• 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: 8

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