1-methyl-5-{[methyl(1-phenylpropan-2-yl)amino]methyl}-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one

• ChemBase编号: 127384
• 分子式: C24H31N3O
• 平均质量: 377.52244
• 单一同位素质量: 377.24671263
• SMILES: O=c1c(c(n(n1c1ccccc1)C)CN(C(C)Cc1ccccc1)C)C(C)C
• Canonical SMILES: CC(N(Cc1c(C(C)C)c(=O)n(n1C)c1ccccc1)C)Cc1ccccc1
• InChI: InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
• InChIKey: GNUXVOXXWGNPIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-5-{[methyl(1-phenylpropan-2-yl)amino]methyl}-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one
• IUPAC传统名: famprofazone
• 别名: 泛普法宗; Famprofazonum; Famprofazone; 1,2-Dihydro-1-methyl-4-(1-methylethyl)-5-[[methyl(1-methyl-2-phenylethyl)amino]methyl]-2-phenyl-3H-pyrazol-3-one; 4-Isopropyl-2-methyl-3-[[methyl(α-methylphenethyl)amino]methyl]-1-phenyl-3-pyrazolin-5-one; Famprofazone

登记号

• CAS号: 22881-35-2
• EC号: 245-284-9
• MDL号: MFCD00079304
• PubChem SID: 162221705; 24894971
• PubChem CID: 3326
• Chemspider ID: 3209
• 美国药典/FDA物质标识码: HN0NCX453C
• 维基百科标题: Famprofazone

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.1910763
• LogD (pH = 7.4): 2.7367613
• Log P: 4.437656
• 摩尔折射率: 116.9804 cm^3
• 极化性: 44.871063 Å^3
• 极化表面积: 26.79 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: UQ9451000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 作用靶点: Others
• 给药途径: Oral
• 法定药品分级: Rx-only

产品相关信息

• 级别: analytical standard
• 成盐信息: Free Base
• Empirical Formula (Hill Notation): C24H31N3O

详细说明

Toronto Research Chemicals - F102350

Famprofazone, which is known to metabolize to Methamphetamine (M258795) and Amphetamine (A634248) and is included in the prohibited list of the World Anti-Doping Agency. Controlled substance (stimulant).

参考文献

• Oh, E., et al.: Xenobiotica, 22, 377 (1992)
• Greenhill, B., et al.: J. Anal. Toxicol., 27, 479 (1992)
• Tseng, Y.L., et al.: J. Forensic Sci., 52, 479 (1992)