Phloxine B - ≥85%(E) , CAS No.18472-87-2

CAS: 18472-87-2 Cat. No.: P1373381 Molecular Weight: 829.63 Beilstein Registry Number: 3887100 EC Number: 242-355-6 PubChem CID: 6433718

GRADE & PURITY ≥85%(E)

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Specifications & Purity

≥85%(E)

Biochemical and Physiological Mechanisms

Phloxine B has been demonstrated as an alternative to Gram staining. It was found to inhibit the growth of methicillin-resistant Staphylococcus aureus. Phloxine B stimulated and inhibited the channel activity of wild-type cystic fibrosis transmembrane con

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Purity

≥85%(E)

Names and Identifiers

• Pubchem Sid: 528776516
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528776516
• Canonical Smiles: C1=C2C(=C(C(=C1Br)[O-])Br)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)Br)[O-])Br.[Na+].[Na+]
• IUPAC Name: disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
• InChIKey: OOYIOIOOWUGAHD-UHFFFAOYSA-L
• INCHI: 1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;;/h1-2,29-30H;;/q;2*+1/p-2
• Isomeric SMILES: C1=C2C(=C(C(=C1Br)[O-])Br)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)Br)[O-])Br.[Na+].[Na+]
• WGK Germany: 2
• RTECS: LM5900000
• PubChem CID: 6433718
• Molecular Weight: 829.63
• Beilstein: 3887100
• Reaxy-Rn: 6364882

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Phthalides Benzofuranones Isobenzofurans Phenoxides Aryl bromides Aryl chlorides Vinylogous halides Carboxylic acid esters Lactones Oxacyclic compounds Organic metal halides Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organobromides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzofuranone - Phthalide - Isobenzofuranone - Isobenzofuran - Isocoumaran - Phenoxide - Aryl chloride - Aryl halide - Benzenoid - Aryl bromide - Vinylogous halide - Carboxylic acid ester - Lactone - Oxacycle - Organic alkali metal salt - Carboxylic acid derivative - Organic metal halide - Ether - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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

• Molecular Weight: 829.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 829.511 Da
• Monoisotopic Mass: 823.519 Da
• Topological Polar Surface Area: 81.700 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 780.000
• 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: 3

XLogP3

References

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