Isopentedrone (hydrochloride)
目录号 : GC43916
An Analytical Reference Standard
Cas No.:1429402-13-0
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Pentedrone is a substituted cathinone and designer drug that is similar to methcathinone, a controlled psychoactive stimulant Isopentedrone is a variant of pentedrone in which the α-propyl and β-keto groups have switched positions. This by-product of the synthesis of pentedrone has been detected in seized designer drug powders. The physiological and toxicological effects of this compound have not been characterized. This product is intended for forensic and research purposes.
| Cas No. | 1429402-13-0 | SDF | |
| Canonical SMILES | O=C(CCC)C(NC)C1=CC=CC=C1.Cl | ||
| 分子式 | C12H17NO•HCl | 分子量 | 227.7 |
| 溶解度 | DMF: 15 mg/ml,DMSO: 15 mg/ml,Ethanol: 20 mg/ml,PBS (pH 7.2): 10 mg/ml | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 4.3917 mL | 21.9587 mL | 43.9174 mL |
| 5 mM | 0.8783 mL | 4.3917 mL | 8.7835 mL |
| 10 mM | 0.4392 mL | 2.1959 mL | 4.3917 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Mass, NMR and IR spectroscopic characterization of pentedrone and pentylone and identification of their isocathinone by-products
Forensic Sci Int 2012 Apr 10;217(1-3):157-67.PMID:22115724DOI:10.1016/j.forsciint.2011.10.045
This study presents and discusses the mass spectrometric, nuclear magnetic resonance spectroscopic and infrared spectroscopic data of the designer drugs pentedrone (2-methylamino-1-phenylpentan-1-one) and its methylenedioxy analog pentylone (2-methylamino-1-(3,4-methylenedioxyphenyl)pentan-1-one). The structure elucidation of the aliphatic parts was carried out by product ion spectroscopy of the immonium ion with m/z=86 formed after electron ionization, and by one- and two-dimensional (1)H- and (13)C-NMR spectroscopy on the hydrochloride salts to verify the structure of the alkyl side chain and to determine the methylenedioxy position in the aromatic ring of pentylone. Furthermore, two typical cathinone synthesis by-products were detected besides the main compounds. Their mass spectra are discussed and for one of them (1-methylamino-1-phenylpentan-2-one (Isopentedrone)) a NMR assignment was possible in the existing mixture.