Propofol-d18 is the deuterium labelled form of Propofol. Propofol potently and directly activates GABAA receptors and inhibits glutamate receptor-mediated excitatory synaptic transmission.

Physicochemical Properties

Molecular Formula	C12D18O
Molecular Weight	196.38
Exact Mass	196.248
CAS #	1189467-93-3
Related CAS #	Propofol;2078-54-8
PubChem CID	45040282
Appearance	Colorless to light yellow viscous liquid
Density	0.9±0.1 g/cm3
Boiling Point	256.0±0.0 °C at 760 mmHg
Flash Point	107.5±7.2 °C
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.513
LogP	4.16
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Complexity	135
Defined Atom Stereocenter Count	0
SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)O
InChi Key	OLBCVFGFOZPWHH-YXZMVERASA-N
InChi Code	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
Chemical Name	1,2,3-trideuterio-5-deuteriooxy-4,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
References	[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Antinociceptive Properties of Propofol: Involvement of Spinal Cord Gamma-Aminobutyric acid(A) Receptors. J Pharmacol Exp Ther . 1997 Sep;282(3):1181-6.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (254.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (6.37 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.25 mg/mL (6.37 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1.25 mg/mL (6.37 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	5.0922 mL	25.4608 mL	50.9217 mL
	5 mM	1.0184 mL	5.0922 mL	10.1843 mL
	10 mM	0.5092 mL	2.5461 mL	5.0922 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.