Bismuth subgallate hydrate - ≥97% , CAS No.99-26-3

CAS: 99-26-3 Cat. No.: B305063 Molecular Weight: 394.09 (anhydrous basis) EC Number: 202-742-2 PubChem CID: 16682999

GRADE & PURITY ≥97%

Synonyms

DTXSID3046588 | 1,3,2-Benzodioxabismole-5-carboxylic acid, 2,7-dihydroxy- | Gallic acid bismuth basic salt | CAS-99-26-3 | E75771 | MFCD00044980 | 2,7-dihydroxy-2H-benzo[d]1,3-dioxa-2-bismacyclopentane-5-carboxylic acid | NCGC00166280-01 | AKOS030573444 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Investigations of:

· Pharmacological activity, specifically NO and PGE2 production by macrophages

· Treatment of Helicobacter pylori infections

Specifications

Synonyms

DTXSID3046588 | 1, 3, 2-Benzodioxabismole-5-carboxylic acid, 2, 7-dihydroxy- | Gallic acid bismuth basic salt | CAS-99-26-3 | E75771 | MFCD00044980 | 2, 7-dihydroxy-2H-benzo[d]1, 3-dioxa-2-bismacyclopentane-5-carboxylic acid | NCGC00166280-01 | AKOS030573444 |

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199399
• Canonical Smiles: C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O
• InChIKey: XXCBNHDMGIZPQF-UHFFFAOYSA-L
• INCHI: 1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+2;/p-2
• Isomeric SMILES: C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O
• Alternate CAS: 342406-26-2
• PubChem CID: 16682999
• Molecular Weight: 394.09 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Organic metal salts Metalloheterocyclic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Gallic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxacycle - Organic metal salt - Organoheterocyclic compound - Metalloheterocycle - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
• 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

• Boil Point(°C): 501.1°C at 760 mmHg
• Melt Point(°C): 223°C
• Molecular Weight: 395.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 394.997 Da
• Monoisotopic Mass: 394.997 Da
• Topological Polar Surface Area: 77.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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: 2

XLogP3