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Methyl arachidonate-d8

CAT: 0804-HY-W011297S1Size: 500 μg (15.31 mM x 100 μL in Methyl Acetate)Dry Ice: NoHazardous: No
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CAT#:0804-HY-W011297S1Size:500 μg (15.31 mM x 100 μL in Methyl Acetate)
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Description
Methyl arachidonate-d8 is the deuterium labeled Arachidonic acid methyl ester[1].
CAS Number
19245-55-7
Product Name Alternative
Arachidonic acid methyl ester-d8
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Concentration
15.31 mM * 100 μL in Methyl acetate
Purity
99.9
Solubility
10 mM in DMSO
Smiles
CCCCC/C([2H])=C([2H])\C/C([2H])=C([2H])\C/C([2H])=C([2H])\C/C([2H])=C([2H])\CCCC(OC)=O
Molecular Formula
C21H26D8O2
Molecular Weight
326.54
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
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Arachidonic Acid methyl ester-d8
CAS Number19245-55-7
PubChem CID71684714
IUPAC Namemethyl (5Z,8Z,11Z,14Z)-5,6,8,9,11,12,14,15-octadeuterioicosa-5,8,11,14-tetraenoate
Molecular FormulaC21H34O2
Molecular Weight326.5
XLogP6.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count23
Formal Charge0
Complexity375
SMILES
[2H]/C(=C(\[2H])/C/C(=C(/[2H])\C/C(=C(/[2H])\C/C(=C(/[2H])\CCCC(=O)OC)/[2H])/[2H])/[2H])/CCCCC
InChI
InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/i7D,8D,10D,11D,13D,14D,16D,17D
InChIKey
OFIDNKMQBYGNIW-SHGAEZPESA-N
Chemical Structure
2D Structure
2D structure of Arachidonic Acid methyl ester-d8
CAS: 19245-55-7
CID: 71684714
Formula: C21H34O2
MW: 326.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.5
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass326.306094291
Monoisotopic Mass326.306094291
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity375
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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