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Synonyms
dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium | dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;2',4',5',7'-tetrabromo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate | Azure B eosinate | 3-(Dimethylamino)-7-(methylamino)phenothiazi
Overview Azure B eosinate is a small molecule dye useful in hematology and histology applications.
Specifications Synonyms
dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium | dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;2', 4', 5', 7'-tetrabromo-3-oxospiro[2-benzofuran-1, 9'-xanthene]-3', 6'-diolate | Azure B eosinate | 3-(Dimethylamino)-7-(methylamino)phenothiazi
Names and Identifiers Pubchem Sid 488192243 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488192243 Canonical Smiles CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)[O-])Br)Br)[O-])Br IUPAC Name dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;2',4',5',7'-tetrabromo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate InChIKey NCBQBFXQRBYYGY-UHFFFAOYSA-N INCHI 1S/C20H8Br4O5.2C15H15N3S/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;2*1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12/h1-6,25-26H;2*4-9H,1-3H3 Isomeric SMILES CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)[O-])Br)Br)[O-])Br WGK Germany 3 PubChem CID 2724069 Molecular Weight 1186.6
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzopyrans Subclass 1-benzopyrans Intermediate Tree Nodes Dibenzopyrans Direct Parent Xanthenes Alternative Parents Diarylethers Phthalides Benzofuranones Benzothiazines Isobenzofurans Secondary alkylarylamines Phenoxides Aryl bromides Secondary ketimines Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic salts Organic zwitterions Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Molecular Framework Not available Substituents Xanthene - Diaryl ether - Benzofuranone - Benzothiazine - Isobenzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Phenoxide - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Secondary ketimine - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Secondary amine - Azacycle - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organic zwitterion - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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.
3D Structure Certificates(CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in water,acetic acid: 1 mg/mL Refractive Index n20D~1.89 (Predicted) Boil Point(°C) 640.3° C at 760 mmHg (Predicted) Molecular Weight 1186.600 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 2 Exact Mass 1185.9 Da Monoisotopic Mass 1181.91 Da Topological Polar Surface Area 187.000 Ų Heavy Atom Count 67 Formal Charge 0 Complexity 1140.000 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
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