Acetyl-L-carnitine-d3-1 ( HCl) is the deuterated form of Acetyl-L-carnitine HCl. Acetyl-L-carnitine HCl is an acetyl ester form of the amino acid (AA) L-carnitine that can penetrate the BBB (blood-brain barrier) in the body. It is often used as a dietary supplement and has anti-stress-related mental illness.

Physicochemical Properties

Molecular Formula	C9H15D3CLNO4
Molecular Weight	242.72
Exact Mass	242.111
CAS #	362049-62-5
Related CAS #	Acetyl-L-carnitine hydrochloride;5080-50-2
PubChem CID	71308983
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	15
Complexity	219
Defined Atom Stereocenter Count	1
SMILES	[2H]C([2H])([2H])C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
InChi Key	JATPLOXBFFRHDN-SPMMGKNWSA-N
InChi Code	InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i1D3;
Chemical Name	[(2R)-3-carboxy-2-(2,2,2-trideuterioacetyl)oxypropyl]-trimethylazanium;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. [2]. Acetyl-L-carnitine as a putative candidate for the treatment of stress-related psychiatric disorders: Novel evidence from a zebrafish model. Neuropharmacology. 2019 May 15;150:145-152.

Solubility Data

Solubility (In Vitro)	H2O: 250 mg/mL (1029.99 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 100 mg/mL (412.00 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	4.1200 mL	20.5999 mL	41.1997 mL
	5 mM	0.8240 mL	4.1200 mL	8.2399 mL
	10 mM	0.4120 mL	2.0600 mL	4.1200 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.