Physicochemical Properties
| Molecular Formula | C18H33D3O2 |
| Molecular Weight | 287.50 |
| Exact Mass | 287.29 |
| CAS # | 62163-39-7 |
| Related CAS # | Stearic acid;57-11-4 |
| PubChem CID | 16213464 |
| Appearance | White to off-white solid powder |
| Density | 0.897g/cm3 |
| Boiling Point | 361ºC(lit.) |
| Melting Point | 68-70ºC(lit.) |
| Flash Point | 162.4ºC |
| Index of Refraction | 1.455 |
| LogP | 6.332 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 20 |
| Complexity | 202 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | [2H]C([2H])([2H])CCCCCCCCCCCCCCCCC(=O)O |
| InChi Key | QIQXTHQIDYTFRH-FIBGUPNXSA-N |
| InChi Code | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1D3 |
| Chemical Name | 18,18,18-trideuteriooctadecanoic acid |
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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]. Dietary stearic acid leads to a reduction of visceral adipose tissue in athymic nude mice. PLoS One. 2014 Sep 15;9(9):e104083. |
| Additional Infomation | Stearic acid(d3) is a long-chain fatty acid and a deuterated fatty acid. |
Solubility Data
| Solubility (In Vitro) | DMSO: 12.5 mg/mL (43.48 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (4.35 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 | 3.4783 mL | 17.3913 mL | 34.7826 mL | |
| 5 mM | 0.6957 mL | 3.4783 mL | 6.9565 mL | |
| 10 mM | 0.3478 mL | 1.7391 mL | 3.4783 mL |