Hexamidine diisethionate - ≥98% , CAS No.659-40-5

CAS: 659-40-5 Cat. No.: H709121 Peso molecular: 606.70 Número EC: 211-533-5

GRADE & PURITY ≥98%

Synonyms

4,4'-(Hexane-1,6-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) | 4,4'-[Hexane-1,6-diylbis(oxy)]dibenzimidamide Bis(2-hydroxyethane-1-sulfonate)

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

4, 4'-(Hexane-1, 6-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) | 4, 4'-[Hexane-1, 6-diylbis(oxy)]dibenzimidamide Bis(2-hydroxyethane-1-sulfonate)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
• IUPAC Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
• InChIKey: NBVZMBLJRHUOJR-UHFFFAOYSA-N
• INCHI: 1S/C20H26N4O2.2C2H6O4S/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;2*3-1-2-7(4,5)6/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*3H,1-2H2,(H,4,5,6)
• Isómeros SMILES: C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
• CAS alternativo: 659-40-5
• Términos de entrada MeSH: 1,6-di(para-amidinophenoxy)hexane;1,6-di-(4-amidinophenoxy)hexane;D\u00e9som\u00e9dine;hexamidine;hexamidine dihydrochloride;hexamidine diisethionate;hexamidine isethionate;Hexaseptine;Hexom\u00e9dine;Hexomedin;Hexomedin N;Hexomedine;Laryngomedin N;Ophtam
• Peso molecular: 606.70

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Sulfonyls Organosulfonic acids Alkanesulfonic acids Carboximidamides Carboxamidines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Organosulfonic acid - Sulfonyl - Amidine - Carboxylic acid amidine - Ether - Carboximidamide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive；Air sensitive; Heat sensitive
• Peso molecular: 606.700 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 606.203 Da
• Monoisotopic Mass: 606.203 Da
• Topological Polar Surface Area: 284.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 505.000
• 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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