Carboxyatractylate

Base Information

• Chemical Name: Carboxyatractylate
• CAS No.: 33286-30-5
• Molecular Formula: C31H44K2O18S2
• Molecular Weight: 846.9969
• European Community (EC) Number: 251-444-9
• DSSTox Substance ID: DTXSID30865669
• Wikipedia: Carboxyatractyloside
• Mol file: 33286-30-5.mol

Synonyms:carboxyatractylate;carboxyatractyloside;dipotassium carboxyatractyloside;gummiferin;kaur-16-ene-18,19-dioic acid, 15-hydroxy-2-((2-o-(3-methyl-1-oxobutyl)-3,4-di-o-sulfo-beta-D-glucopyranosyl)oxy)-, dipotassium salt, (2beta,15alpha)-;potassium carboxyatractyloside

Chemical Property of Carboxyatractylate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 309.44000
• Density: g/cm³
• LogP: 2.59820
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 13
• Exact Mass: 770.21255696
• Heavy Atom Count: 51
• Complexity: 1600

Purity/Quality:

97% ^*data from raw suppliers

Carboxyatractylosidedipotassium 98.69% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O
• Uses: Carboxyatractyloside is a derivative of Atractyloside (A794530), a specific inhibitor of the adenine nucleotide translocase (ANT), which is a mitochondrial ADP/ATP carrier. It is also a proapoptotic ligand of ANT that induces pore formation by ANT, and results in permeabilization of the mitochondria membrane. Studies on rat hearts suggest that Atractyloside inhibits chloride channels from the mitochondrial membrane.

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