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Myristoleyl carnitine-d3

CAT: 0804-HY-164182S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-164182S-01Size:1 mg
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Description
Myristoleyl carnitine-d3 is the deuterium labeled Myristoleyl carnitine.
CAS Number
1803252-79-0
UNSPSC
12352211
Target
Cholinesterase (ChE) ; Isotope-Labeled Compounds; Parasite
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Neuronal Signaling; Others
Applications
COVID-19-immunoregulation
Field of Research
Others
Purity
99.93
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CCCC/C=C\CCCCCCCC(O[C@H](CC([O-])=O)C[N+](C)(C)C([2H])([2H])[2H])=O
Molecular Formula
C21H36D3NO4
Molecular Weight
372.56
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Myristoleyl carnitine-d3
CAS Number1803252-79-0
PubChem CID178189878
IUPAC Name(3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-[(E)-tetradec-9-enoyl]oxybutanoate
Molecular FormulaC21H39NO4
Molecular Weight372.6
XLogP5.7
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count26
Formal Charge0
Complexity407
SMILES
[2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCC/C=C/CCCC
InChI
InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h8-9,19H,5-7,10-18H2,1-4H3/b9-8+/t19-/m1/s1/i2D3
InChIKey
ABVVZYXTZLEOHP-CNUZVPAMSA-N
Chemical Structure
2D Structure
2D structure of Myristoleyl carnitine-d3
CAS: 1803252-79-0
CID: 178189878
Formula: C21H39NO4
MW: 372.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.6
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass372.30673896
Monoisotopic Mass372.30673896
Topological Polar Surface Area66.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity407
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS394808-01Myristoleyl Behenate
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MBS394793-01Myristoleyl Laurate
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