Physicochemical Properties
| Molecular Formula | C7H13D3CLNO3 |
| Molecular Weight | 200.68 |
| Exact Mass | 186.085 |
| CAS # | 350818-62-1 |
| Related CAS # | (±)-Carnitine chloride;461-05-2 |
| PubChem CID | 71309656 |
| Appearance | Off-white to light yellow solid powder |
| Melting Point | 131-135°C |
| LogP | 0.185 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 12 |
| Complexity | 139 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | [2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-] |
| InChi Key | JXXCENBLGFBQJM-QKBJTWEASA-N |
| InChi Code | InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1D3; |
| Chemical Name | [(2R)-3-carboxy-2-hydroxypropyl]-dimethyl-(trideuteriomethyl)azanium;chloride |
| 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, avoid exposure to moisture. |
| 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. |
Solubility Data
| Solubility (In Vitro) | H2O: 250 mg/mL (1245.76 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (498.31 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9831 mL | 24.9153 mL | 49.8306 mL | |
| 5 mM | 0.9966 mL | 4.9831 mL | 9.9661 mL | |
| 10 mM | 0.4983 mL | 2.4915 mL | 4.9831 mL |