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Linalool-d5

CAT: 0804-HY-152052S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-152052S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Linalool-d5 is the deuterium labeled Linalool. Linalool is a natural monoterpene which is a competitive NMDA receptor antagonist. Linalool is orally active and crosses the blood-brain barrier. Linalool has anticancer, antibacterial, anti-inflammatory, neuroprotective, anxiolytic, antidepressant, anti-stress, cardioprotective, hepatoprotective, nephroprotective and pulmonary protective activities[1][2][3][4][5].
CAS Number
159592-39-9
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.0
Smiles
C/C(C)=C\CC([2H])([2H])C(C([2H])([2H])[2H])(O)C=C
Molecular Formula
C10H13D5O
Molecular Weight
159.28
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, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Linalool-d5
CAS Number159592-39-9
PubChem CID171381552
IUPAC Name4,4-dideuterio-7-methyl-3-(trideuteriomethyl)octa-1,6-dien-3-ol
Molecular FormulaC10H18O
Molecular Weight159.28
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
[2H]C([2H])([2H])C(C=C)(C([2H])([2H])CC=C(C)C)O
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/i4D3,8D2
InChIKey
CDOSHBSSFJOMGT-JVWKMBIZSA-N
Chemical Structure
2D Structure
2D structure of Linalool-d5
CAS: 159592-39-9
CID: 171381552
Formula: C10H18O
MW: 159.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.28
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass159.167148923
Monoisotopic Mass159.167148923
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-L465952-25MGLinalool-D5
453758-01Linalool-D5 discontinued. See 281324
281324-01Linalool
sc-506060(−) -Linalool

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