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Hexacosanoic acid-d4-1

CAT: 0804-HY-113301S1-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113301S1-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hexacosanoic acid-d4-11 is the deuterium labeled Hexacosanoic acid. Hexacosanoic acid is a very long-chain fatty acid. Abnormally elevated levels of Hexacosanoic acid are closely associated with various diseases, such as X-linked adrenoleukodystrophy, adrenomyeloneuropathy, atherosclerosis, and dementia[1].
CAS Number
1194984-85-4
UNSPSC
12352211
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cardiovascular Disease
Purity
98.0
Solubility
THF : 10 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CCCCCCCCCCCCCC([2H])([2H])C([2H])([2H])CCCCCCCCCCC(O)=O
Molecular Formula
C26H48D4O2
Molecular Weight
400.71
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Hexacosanoic acid-d4

See also: Hexacosanoic Acid (annotation moved to); Cerotate (annotation moved to).

CAS Number1194984-85-4
PubChem CID91555690
IUPAC Name12,12,13,13-tetradeuteriohexacosanoic acid
Molecular FormulaC26H52O2
Molecular Weight400.7
XLogP11.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count24
Heavy Atom Count28
Formal Charge0
Complexity301
SMILES
[2H]C([2H])(CCCCCCCCCCCCC)C([2H])([2H])CCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)/i14D2,15D2
InChIKey
XMHIUKTWLZUKEX-QZPARXMSSA-N
Chemical Structure
2D Structure
2D structure of Hexacosanoic acid-d4
CAS: 1194984-85-4
CID: 91555690
Formula: C26H52O2
MW: 400.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.7
XLogP311.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count24
Exact Mass400.421837881
Monoisotopic Mass400.421837881
Topological Polar Surface Area37.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity301
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-H290912-10MGHexacosanoic Acid-d4
278890-01Hexacosanoic acid
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A18610-50Hexacosanoic acid 50mg
A18610-250Hexacosanoic acid 250mg
A18610-10Hexacosanoic acid 10mg
A18610-100Hexacosanoic acid 100mg
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