Diminazene Aceturate - ≥98% , CAS No.908-54-3

CAS: 908-54-3 Cat. No.: D757080 Formule: C₁₄H₁₅N₇.2C₄H₇NO₃ Poids moléculaire: 515.52 Numéro CE: 212-999-2

GRADE & PURITY ≥98%

Synonyms

Diminazene aceturate | Diminazene diaceturate | 908-54-3 | berenil | Diminazene (aceturate) | Azidin | Beronal | Bevenil | Diminazene (diaceturate) | CHEBI:82615 | 1,3-Bis(p-amidinophenyl)triazene bis(N-acetylglycinate) | JI8SAD85NO | Diminazene aceturate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Diminazene aceturate | Diminazene diaceturate | 908-54-3 | berenil | Diminazene (aceturate) | Azidin | Beronal | Bevenil | Diminazene (diaceturate) | CHEBI:82615 | 1,3-Bis(p-amidinophenyl)triazene bis(N-acetylglycinate) | JI8SAD85NO | Diminazene aceturate

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Diminazene aceturate is an anti-trypanosome agent for livestock. The main biochemical mechanism of the trypanocidal actions of Diminazene aceturate is by binding to trypanosomal kinetoplast DNA (kDNA) in a non-intercalative manner through specific interac

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528769577

Sourires canoniques

CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N

IUPAC Name

2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

InChIKey

OKQSSSVVBOUMNZ-UHFFFAOYSA-N

INCHI

1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)

Isomères SMILES

CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N

CAS alternatif

536-71-0

Poids moléculaire

515.52

Reaxy-Rn

3841323

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3841323&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Phenylhydrazines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Carboximidamides Carboxamidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: N-acyl-alpha-amino acid - Phenylhydrazine - Monocyclic benzene moiety - Benzenoid - Amidine - Carboxylic acid amidine - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: N-acetylglycinate salt

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

• Solubilité: ≥24.35 mg/mL in DMSO; insoluble in EtOH; ≥53.7 mg/mL in H2O
• Sensibilité: Moisture sensitive
• Poids moléculaire: 515.500 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 515.224 Da
• Monoisotopic Mass: 515.224 Da
• Topological Polar Surface Area: 269.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 500.000
• 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