Nitroxynil is an anthelmintic that is effective against parasites in their adult and immature stages. Nitroxynil is extensively used to study Fasciola hepatica infections.

Physicochemical Properties

Molecular Formula	C7H3IN2O3
Molecular Weight	290.01
Exact Mass	289.918
CAS #	1689-89-0
Related CAS #	10532-59-9 (megulmate);1689-89-0;
PubChem CID	15532
Appearance	Off-white to light yellow solid powder
Density	2.2±0.1 g/cm3
Boiling Point	280.1±40.0 °C at 760 mmHg
Melting Point	136 - 139ºC
Flash Point	123.2±27.3 °C
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.736
LogP	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Complexity	256
Defined Atom Stereocenter Count	0
SMILES	IC1=C([H])C(C#N)=C([H])C(=C1O[H])[N+](=O)[O-]
InChi Key	SGKGVABHDAQAJO-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
Chemical Name	4-hydroxy-3-iodo-5-nitrobenzonitrile
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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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

References	[1]. Jiang R, et al. Cannabidiol is a potent inhibitor of the catalytic activity of cytochrome P450 2C19. Drug Metab Pharmacokinet. 2013;28(4):332-8.
Additional Infomation	Proposed anthelmintic for fasciola and liver fluke infestations.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (344.82 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.62 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.4482 mL	17.2408 mL	34.4816 mL
	5 mM	0.6896 mL	3.4482 mL	6.8963 mL
	10 mM	0.3448 mL	1.7241 mL	3.4482 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.