Magnesium ionophore IV - ≥95% , CAS No.135734-39-3

CAS: 135734-39-3 Cat. No.: M592247 Molecular Weight: 863.31 PubChem CID: 3693608

GRADE & PURITY ≥95%

Synonyms

Magnesium ionophore IV|135734-39-3|N'-heptyl-N-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]amino]octyl]amino]octyl]-N'-methylpropanediamide|N1-heptyl-N3,N3-bis(8-(3-(heptyl(methyl)amino)-3-oxopropanamido)octyl)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Magnesium ionophore IV is a very lipophilic magnesium ionophore. Assay of Mg|+2|-activity in human blood serum with an optimized liquid polymer membrane electrode.

Specifications

Synonyms

Magnesium ionophore IV | 135734-39-3 | N'-heptyl-N-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]amino]octyl]amino]octyl]-N'-methylpropanediamide | N1-heptyl-N3, N3-bis(8-(3-(heptyl(methyl)amino)-3-oxopropanamido)octyl)

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCN(C)C(=O)CC(=O)NCCCCCCCCN(CCCCCCCCNC(=O)CC(=O)N(C)CCCCCCC)C(=O)CC(=O)N(C)CCCCCCC
• IUPAC Name: N'-heptyl-N-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]amino]octyl]amino]octyl]-N'-methylpropanediamide
• InChIKey: JYBGTBZZVHYIJI-UHFFFAOYSA-N
• INCHI: 1S/C49H94N6O6/c1-7-10-13-22-29-36-52(4)46(58)41-44(56)50-34-27-20-16-18-25-32-39-55(49(61)43-48(60)54(6)38-31-24-15-12-9-3)40-33-26-19-17-21-28-35-51-45(57)42-47(59)53(5)37-30-23-14-11-8-2/h7-43H2,1-6H3,(H,50,56)(H,51,57)
• Isomeric SMILES: CCCCCCCN(C)C(=O)CC(=O)NCCCCCCCCN(CCCCCCCCNC(=O)CC(=O)N(C)CCCCCCC)C(=O)CC(=O)N(C)CCCCCCC
• PubChem CID: 3693608
• UN Number: 2056
• Packing Group: II
• Molecular Weight: 863.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Tertiary carboxylic acid amides Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
• 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

Chemical and Physical Properties

• Flash Point(°C): -17 ° C - Closed Cup
• Molecular Weight: 863.300 g/mol
• XLogP3: 10.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 42
• Exact Mass: 862.723 Da
• Monoisotopic Mass: 862.723 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 61
• Formal Charge: 0
• Complexity: 1090.000
• 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