Wright's stain - Biological stain , CAS No.68988-92-1

CAS: 68988-92-1 Cat. No.: W100940 Formula: C₃₆H₂₇Br₄N₃O₅S Molecular Weight: 933.29 EC Number: 273-541-5

GRADE & PURITY Biological Stain

Synonyms

Eosin Methylene blue according to Wright

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Eosin Methylene blue according to Wright

Specifications & Purity

Biological stain

Storage

Room temperature

Shipped In

Normal

Grade

Biological Stain

Names and Identifiers

Pubchem Sid

528773328

Canonical Smiles

CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.C1=CC=C(C(=C1)C2=C3C=C(C(=C(C3=[O+]C4=C(C(=C(C=C24)Br)O)Br)Br)O)Br)C(=O)O

IUPAC Name

[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-10-ium-9-yl)benzoic acid

InChIKey

AXIKDPDWFVPGOD-UHFFFAOYSA-O

INCHI

1S/C20H8Br4O5.C16H18N3S/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h1-6H,(H2-,25,26,27,28);5-10H,1-4H3/q;+1/p+1

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.C1=CC=C(C(=C1)C2=C3C=C(C(=C(C3=[O+]C4=C(C(=C(C=C24)Br)O)Br)Br)O)Br)C(=O)O

WGK Germany

3

Molecular Weight

933.29

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: Benzothiazines Benzoic acids O-bromophenols Benzoyl derivatives Dialkylarylamines Aryl bromides Secondary ketimines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organooxygen compounds Hydrocarbon derivatives Organic oxides Organobromides Organic cations
• Molecular Framework: Not available
• Substituents: Xanthene - Benzothiazine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 2-halophenol - 2-bromophenol - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Phenol - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Heteroaromatic compound - Secondary ketimine - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organic cation - 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

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.52-1.522
• Molecular Weight: 933.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 932.836 Da
• Monoisotopic Mass: 928.84 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 2
• Complexity: 1070.000
• 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

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