Nepinalon HCl, an acetal analogue of beta-tetralone, is an orally bioactive anti-tussive with non-opioid anti-tussive activity.

Physicochemical Properties

Molecular Formula	C18H26CLNO
Molecular Weight	307.86
Exact Mass	307.17
CAS #	22443-55-6
Related CAS #	Nepinalone;22443-11-4
PubChem CID	21742207
Appearance	White to off-white solid powder
LogP	4.075
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	21
Complexity	347
Defined Atom Stereocenter Count	0
InChi Key	DWXUSWVHSCQVTM-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H25NO.ClH/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20;/h3-4,7-8H,2,5-6,9-14H2,1H3;1H
Chemical Name	1-methyl-1-(2-piperidin-1-ylethyl)-3,4-dihydronaphthalen-2-one;hydrochloride
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

References

[1]. AZIONE ANTITOSSE DEGLI ISOMERI LEVO E DESTRO DELL NEPINALONE NEI CONFRONTI DEL RACEMO NELLA CAVIA STIMOLATA CON ACIDO CITRICO. GIMT - Giornale Italiano delle Malattie del Torace, 47(1-2), 17-22.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (812.06 mM) H2O: 50 mg/mL (162.41 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.76 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 20.8 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: ≥ 2.08 mg/mL (6.76 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 20.8 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: ≥ 2.08 mg/mL (6.76 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 50 mg/mL (162.41 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2482 mL	16.2411 mL	32.4823 mL
	5 mM	0.6496 mL	3.2482 mL	6.4965 mL
	10 mM	0.3248 mL	1.6241 mL	3.2482 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.