ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine hydrochloride

• ChemBase编号: 131516
• 分子式: C12H17ClF3N
• 平均质量: 267.7182896
• 单一同位素质量: 267.10016189
• SMILES: CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl
• Canonical SMILES: CCN[C@H](Cc1cccc(c1)C(F)(F)F)C.Cl
• InChI: InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/t9-;/m0./s1
• InChIKey: ZXKXJHAOUFHNAS-FVGYRXGTSA-N

名称和登记号

名称

• IUPAC标准名: ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine hydrochloride
• IUPAC传统名: dexfenfluramine hydrochloride
• 别名: (+)-N-Ethyl-α-methyl-m-[trifluoromethyl]phenethylamine hydrochloride; Dexfenfluramine hydrochloride; (+)-Fenfluramine hydrochloride; N-Ethyl-α-methyl-3-(trifluoromethyl)benzeneethanamine Hydrochloride; N-Ethyl-α-methyl-m-(trifluoromethyl)phenethylamine Hydrochloride; Acino; Obedrex; Pesos; Ponderal; Pondimin; Rotondin; rac Fenfluramine Hydrochloride; (αR)-N-Ethyl-α-methyl-3-(trifluoromethyl)benzeneethanamine Hydrochloride; (-)-N-Ethyl-α-methyl-m-(trifluoromethyl)phenethylamine Hydrochloride; (-)-Fenfluramine Hydrochloride; l-Fenfluramine Hydrochloride; (R)-(-)-Fenfluramine Hydrochloride; (αS)-N-Ethyl-α-methyl-3-(trifluoromethyl)benzeneethanamine Hydrochloride; (+)-N-Ethyl-α-methyl-m-(trifluoromethyl)phenethylamine Hydrochloride; Adifax; Adipomin; Glypolix; Isomeride; S5614 HCl; (+)-Fenfluramine Hydrochloride; (S)-(+)-Fenfluramine Hydrochloride; 5-[(1S)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole; (S)-4-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole; (+)-Medetomidine; (S)-Medetomidine; MPV 1440; d-Medetomidine; Dexmedetomidine

登记号

• CAS号: 404-82-0; 113775-47-6; 3616-78-2; 3239-45-0
• EC号: 221-806-0
• MDL号: MFCD00069276
• PubChem SID: 162225794; 24894746
• PubChem CID: 66264

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.24381867
• LogD (pH = 7.4): 0.7935381
• Log P: 3.4714873
• 摩尔折射率: 59.2021 cm^3
• 极化性: 21.97514 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; H2O: soluble10 mg/mL; Methanol
• 外观: Crystalline Solid; White Crystalline Powder; White Solid; white to off-white powder
• 熔点: 146-149°C; 159-163°C; 166°C

安全信息

• 保存条件: -20°C Freezer
• RTECS编号: SH6824000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 23/24/25
• 安全公开号: 22-36/37/39-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H331
• GHS警示性声明: P261-P280-P301 + P310-P311
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• 毒品管制信息: USDEA Schedule IV
• 保存温度: room temp

详细说明

Sigma Aldrich - F112

Other Notes
Active isomer
Biochem/physiol Actions
(+)-Fenfluramine is a serotonin uptake inhibitor; anoxexic. (+)-Fenfluramine is neurotoxic on prolonged administration or at high dosage. (+)-Fenfluramine releases serotonin from axon terminals by a nonexocytotic mechanism.

Toronto Research Chemicals - D299000

α2-Adrenergic agonist; (+)-isomer of Medetomidine; sedative; analgesic.

Toronto Research Chemicals - F247596

Anorexic.

Toronto Research Chemicals - F247600

Anorexic.

Toronto Research Chemicals - F247595

Anorexic.

参考文献

• Rajala, R., et al.: Eur. J. Pharm. Sci., 1, 219 (1994)
• Jalonen, J., et al.: Anesthesiology, 86, 331 (1994)
• Talke, P., et al.: Anesth. Analg., 85, 1136 (1994)
• Bhana, N., et al.: Drugs, 59, 263 (1994)
• Pinder, et al.: Drugs, 10, 241 (1975)
• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)
• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)
• Pinder, et al.: Drugs, 10, 241 (1975)
• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)
• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)
• Pinder, et al.: Drugs, 10, 241 (1975)
• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)
• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)