Decamethoxine , CAS No.38146-42-8

CAS: 38146-42-8 Cat. No.: D648717 Formule: C₃₈H₇₄Cl₂N₂O₄ Poids moléculaire: 693.9 PubChem CID: 162290

Synonyms

A873917 | N~1~,N~1~,N~10~,N~10~-Tetramethyl-N~1~,N~10~-bis(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)decane-1,10-bis(aminium) dichloride | N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-dia

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Vue d’ensemble

Decamethoxine (Septefril) is a cationic gemini surfactant. Decamethoxine exhibits strong bactericidal and fungicidal effects. Decamethoxine modifies the permeability of the microbial cell membrane, resulting in the destruction and death of diverse microorganisms.

In Vitro

Decamethoxine (Septefril) has a wide spectrum of antimicrobial action on Gram-positive bacteria ( Staphylococcus , Streptococcus , Pneumococcus ), Gram-negative bacteria ( Pseudomonoas , Neisseria gonorrhoeae , Chlamydia trachomatis ), protozoa, dermatophyte, yeast-like fungi of Candida genus, and viruses. Decamethoxine at a concentration of 10 µg/ml drastically reduces the adhesion of coryneform bacteria, Salmonella , Staphylococcus , and Escherichia. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonymes

A873917 | N~1~,N~1~,N~10~,N~10~-Tetramethyl-N~1~,N~10~-bis(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)decane-1,10-bis(aminium) dichloride | N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-dia

Mécanismes biochimiques et physiologiques

Decamethoxine (Septefril) is a cationic gemini surfactant. Decamethoxine exhibits strong bactericidal and fungicidal effects. Decamethoxine modifies the permeability of the microbial cell membrane, resulting in the destruction and death of diverse microor

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

Sourires canoniques

CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C.[Cl-].[Cl-]

IUPAC Name

10-[dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium;dichloride

InChIKey

LRQIWRXCHWNNEA-UHFFFAOYSA-L

INCHI

1S/C38H74N2O4.2ClH/c1-29(2)33-21-19-31(5)25-35(33)43-37(41)27-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)28-38(42)44-36-26-32(6)20-22-34(36)30(3)4;;/h29-36H,11-28H2,1-10H3;2*1H/q+2;;/p-2

Isomères SMILES

CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C.[Cl-].[Cl-]

PubChem CID

162290

Poids moléculaire

693.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Decamethonium compounds
• Alternative Parents: Alpha amino acid esters Monocyclic monoterpenoids Menthane monoterpenoids Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Decamethonium - Alpha-amino acid ester - Alpha-amino acid or derivatives - Monocyclic monoterpenoid - P-menthane monoterpenoid - Monoterpenoid - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as decamethonium compounds. These are quaternary ammonium compounds containing a trimethyl-(10-trimethylammoniodecyl)ammonium 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

• Poids moléculaire: 693.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 21
• Exact Mass: 692.503 Da
• Monoisotopic Mass: 692.503 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 771.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 6
• 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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