| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Extensively metabolized, primarily excreted in urine and feces. …Most (85%) of butril is excreted in urine within 48 hours (rat). After 72 hours, butril is undetectable in organs. In a metabolic study, rats were administered butril (ring-labeled) dissolved in corn oil by gavage at doses of 8 mg/kg/day (low dose) for single and multiple administrations, and 800 mg/kg/day (high-dose single administration) for a bile excretion study, and the distribution and excretion of butril were tracked over 7 days. Low-dose results showed that approximately 100% of the administered substance was excreted within approximately 2 days, with 55% to 60% excreted in feces and 35% to 45% in urine. Approximately 10% of unmetabolized butril was present in feces. The excretion half-life was approximately 12 hours. Only approximately 1% of the labeled butril remained in tissues. Similar excretion patterns were observed in repeated low-dose groups. Following high-dose bhutropine administration, it takes 5–7 days for 100% excretion of bhutropine in urine and feces. The excretion half-life is 2–4 days. In various tissues, fat and liver tend to retain more bhutropine residues. Females excrete bhutropine residues more slowly than males and retain more metabolites in tissues, particularly the liver and fat. Metabolism/Metabolites: In a bile excretion study using a low dose (8 mg bhutropine/kg), enterohepatic circulation was identified as the primary pathway for bhutropine excretion and metabolism. Twelve bhutropine metabolites were identified in mixed urine, feces, and/or bile samples. Metabolites at concentrations of 5% to 10% of the administered dose included: 2-methyl-5(6)[1-(1-carboxy-1-methyl)ethyl]-7(4)-nitrobenzimidazole, 2-methyl-5(6)[2-(1-hydroxy-2-methyl)propyl]-7(4)-nitrobenzimidazole, 2-methyl-2(4-amino-3,5-dinitrophenyl)propionic acid, and 2-methyl-2(4-amino-3,5-dinitrophenyl)propanol glucuronide. The concentration of the parent compound, buttraline, was 10% of the administered dose. No metabolites at concentrations higher than 10% of the administered dose were detected in this study. …In rats, buttraline is primarily metabolized through primary metabolic processes such as N-dealkylation, oxidation, and nitro reduction, and also through secondary metabolic processes such as N-acetyl conjugation and glucuronide conjugation. …Buttraline is ultimately metabolized to carbon dioxide. |
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| Toxicity/Toxicokinetics |
Toxicity Data LC50 (Rat) = 50,000 mg/m³/4h |
| Additional Infomation |
Butralin is a C-nitro compound. Butralin is a dinitroaniline herbicide used as a plant growth regulator in flue-cured and air-dried tobacco. In animal studies, Butralin generally exhibits low acute toxicity. Oral exposure and eye irritation are classified as Group III, while dermal and inhalation exposure are classified as Group IV. The carcinogenicity classification of Butralin has not been determined.
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| Molecular Formula |
C14H21N3O4
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|---|---|
| Molecular Weight |
295.34
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| Exact Mass |
295.153
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| CAS # |
33629-47-9
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| PubChem CID |
36565
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| Appearance |
Yellow orange crystals
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
381.3±42.0 °C at 760 mmHg
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| Melting Point |
61ºC
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| Flash Point |
184.4±27.9 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.565
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| LogP |
5.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
21
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| Complexity |
359
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
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| InChi Key |
SPNQRCTZKIBOAX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
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| Chemical Name |
N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline
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| Synonyms |
A 820; Tamex; Butralin
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~338.60 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.47 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.47 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 25.0 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 | 3.3859 mL | 16.9296 mL | 33.8593 mL | |
| 5 mM | 0.6772 mL | 3.3859 mL | 6.7719 mL | |
| 10 mM | 0.3386 mL | 1.6930 mL | 3.3859 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.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.