Devaleryl Valsartan Impurity is an intermediate in the preparation /synthesis of Valsartan.

Physicochemical Properties

Molecular Formula	C19H21N5O2
Molecular Weight	351.40
Exact Mass	351.169
CAS #	676129-92-3
PubChem CID	10315945
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	598.2±60.0 °C at 760 mmHg
Flash Point	315.6±32.9 °C
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.609
LogP	3.52
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	26
Complexity	453
Defined Atom Stereocenter Count	1
SMILES	CC(C)[C@H](NCC1=CC=C(C2=C(C3N=NNN=3)C=CC=C2)C=C1)C(O)=O
InChi Key	NSXSCTCKWRSTHJ-KRWDZBQOSA-N
InChi Code	InChI=1S/C19H21N5O2/c1-12(2)17(19(25)26)20-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18-21-23-24-22-18/h3-10,12,17,20H,11H2,1-2H3,(H,25,26)(H,21,22,23,24)/t17-/m0/s1
Chemical Name	(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic 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
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]. A Sampath, et al. Identification and characterization of potential impurities of valsartan, AT1 receptor antagonist. J Pharm Biomed Anal. 2009 Oct 15;50(3):405-12.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (711.44 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.92 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 (5.92 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 (5.92 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.8458 mL	14.2288 mL	28.4576 mL
	5 mM	0.5692 mL	2.8458 mL	5.6915 mL
	10 mM	0.2846 mL	1.4229 mL	2.8458 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.