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

CAS: 99-26-3 Cat. No.: B305063 Formule: C₇H₅BiO₆ · xH₂O Poids moléculaire: 394.09 (anhydrous basis) Numéro CE: 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

Vue d’ensemble

Investigations of:

· Pharmacological activity, specifically NO and PGE2 production by macrophages

· Treatment of Helicobacter pylori infections

Specifications

Synonymes

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 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488199399

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199399

Sourires canoniques

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

Isomères SMILES

C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O

CAS alternatif

342406-26-2

PubChem CID

16682999

Poids moléculaire

394.09 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 501.1°C at 760 mmHg
• Point de fusion (°C): 223°C
• Poids moléculaire: 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