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HMMNI (Hydroxy Dimetridazole) 936-05-0

HMMNI (Hydroxy Dimetridazole) 936-05-0

CAS No.: 936-05-0

HMMNI (Hydroxy dimetridazole) is the hydroxyl metabolite of dimetridazole. Dimetridazol is a nitroimidazole drug used to
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HMMNI (Hydroxy dimetridazole) is the hydroxyl metabolite of dimetridazole. Dimetridazol is a nitroimidazole drug used to combat protozoal infections.

Physicochemical Properties


Molecular Formula C5H7N3O3
Molecular Weight 157.13
Exact Mass 157.048
CAS # 936-05-0
Related CAS # HMMNI-d3;1015855-78-3
PubChem CID 557356
Appearance Off-white to yellow solid powder
Density 1.5±0.1 g/cm3
Boiling Point 388.0±22.0 °C at 760 mmHg
Melting Point 110-112ºC
Flash Point 188.5±22.3 °C
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.634
LogP -0.49
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Heavy Atom Count 11
Complexity 158
Defined Atom Stereocenter Count 0
InChi Key JSAQDPJIVQMBAY-UHFFFAOYSA-N
InChi Code

InChI=1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3
Chemical Name

(1-methyl-5-nitroimidazol-2-yl)methanol
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]. Rapid confirmatory method for the determination of 11 nitroimidazoles in egg using liquid chromatography tandem mass spectrometry. J Chromatogr A. 2009;1216(46):8101‐8109.


Solubility Data


Solubility (In Vitro) DMSO: 100 mg/mL (636.42 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.08 mg/mL (13.24 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 (13.24 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.3642 mL 31.8208 mL 63.6416 mL
5 mM 1.2728 mL 6.3642 mL 12.7283 mL
10 mM 0.6364 mL 3.1821 mL 6.3642 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.