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Propofol-d18

CAT: 0804-HY-B0649S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0649S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Propofol-d18 is the deuterium labeled Propofol. Propofol potently and directly activates GABAA receptor and inhibits glutamate receptor mediated excitatory synaptic transmission[1].
CAS Number
1189467-93-3
UNSPSC
12352005
Target
Endogenous Metabolite; GABA Receptor
Type
Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling
Field of Research
Neurological Disease
Purity
96.98
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
[2H]C([2H])([2H])C(C1=C(C(C(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=C([2H])C([2H])=C1[2H])O[2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C12D18O
Molecular Weight
196.38
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]R Nadeson, et al. Antinociceptive Properties of Propofol: Involvement of Spinal Cord Gamma-Aminobutyric acid (A) Receptors. J Pharmacol Exp Ther . 1997 Sep;282 (3) :1181-6.
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

2,6-Di-iso-propylphenol-d18
CAS Number1189467-93-3
PubChem CID45040282
IUPAC Name1,2,3-trideuterio-5-deuteriooxy-4,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene
Molecular FormulaC12H18O
Molecular Weight196.38
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity135
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]
InChI
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D/hD
InChIKey
OLBCVFGFOZPWHH-YXZMVERASA-N
Chemical Structure
2D Structure
2D structure of 2,6-Di-iso-propylphenol-d18
CAS: 1189467-93-3
CID: 45040282
Formula: C12H18O
MW: 196.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.38
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass196.248746620
Monoisotopic Mass196.248746620
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity135
Isotope Atom Count18
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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