Calcium ionophore IV - ≥95% , CAS No.126572-74-5

CAS: 126572-74-5 Cat. No.: C355638 Peso molecular: 801.36

GRADE & PURITY ≥95%

Synonyms

CLLKVTAGSOWKHA-UHFFFAOYSA-N | Calcium ionophore IV | J-005399 | 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide | calcium-ionophore iv | Acetamide, 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecyl- | DTXSID80345108 | Calcium ionophore

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

An extremely lipophilic|2+|-selective ionophore for chemical sensors with long lifetimes. Induces selectivities for Ca over Mg, Na and K (4), 10 (6).

Specifications

Sinónimos

CLLKVTAGSOWKHA-UHFFFAOYSA-N | Calcium ionophore IV | J-005399 | 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N, N-dioctadecylacetamide | calcium-ionophore iv | Acetamide, 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N, N-dioctadecyl- | DTXSID80345108 | Calcium ionophore

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504759473
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759473
• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)N(C1CCCCC1)C2CCCCC2
• IUPAC Name: 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
• InChIKey: CLLKVTAGSOWKHA-UHFFFAOYSA-N
• INCHI: 1S/C52H100N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-53(46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51(55)47-57-48-52(56)54(49-41-35-33-36-42-49)50-43-37-34-38-44-50/h49-50H,3-48H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)N(C1CCCCC1)C2CCCCC2
• Peso molecular: 801.36
• Reaxy-Rn: 49381647
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49381647&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Tertiary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Tertiary carboxylic acid amides
• Alternative Parents: Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Tertiary carboxylic acid amide - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• 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

• Punto de fusión (°C): 50-53 °C
• Peso molecular: 801.400 g/mol
• XLogP3: 20.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 40
• Exact Mass: 800.773 Da
• Monoisotopic Mass: 800.773 Da
• Topological Polar Surface Area: 49.900 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 829.000
• 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: 1

Referencias

1. Lidan Yan, Yang Zhang, Zhibiao Zhu, Yuqi Liang, Mengmeng Xiao.  (2025)  Robust Carbon Nanotube Transistor Ion Sensors with Near-Nernstian Sensitivity for Multi-Ion Detection in Neurological Diseases.  Nanomaterials,  15  (6): (447).  [PMID:40137620] [10.3390/nano15060447]