1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one hydrochloride

• ChemBase编号: 174800
• 分子式: C23H28ClN3O2
• 平均质量: 413.94032
• 单一同位素质量: 413.18700483
• SMILES: C1OC(C(N(C1)Cc1c(n(n(c1=O)c1ccccc1)C)C)C)c1ccccc1.Cl
• Canonical SMILES: CC1N(CCOC1c1ccccc1)Cc1c(=O)n(n(c1C)C)c1ccccc1.Cl
• InChI: InChI=1S/C23H27N3O2.ClH/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19;/h4-13,18,22H,14-16H2,1-3H3;1H
• InChIKey: QPNQBCBHTTYDEN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one hydrochloride
• IUPAC传统名: morazone hydrochloride
• 别名: 1,2-Dihydro-1,5-dimethyl-4-[(3-methyl-2-phenyl-4-morpholinyl)methyl]-2-phenyl-3H-pyrazol-3-one Hydrochloride; Rosimon Neu; Tarugan Hydrochloride; Morazone Hydrochloride

登记号

• CAS号: 50321-35-2
• PubChem SID: 164230710
• PubChem CID: 67093045

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.0428632
• LogD (pH = 7.4): 2.6762195
• Log P: 3.0248125
• 摩尔折射率: 112.0515 cm^3
• 极化性: 43.032776 Å^3
• 极化表面积: 36.02 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M630800

Morazone is a non-steroidal anti-inflammatory drug (NSAID). Morazone has analgesic activity and is metabolized into Phenmetrazibe (P314500).

参考文献

• Mrongovius, R. et al.: Eur. J. Med. Chem., 19, 161 (1984)
• Neugebauer, M.: J. Pharmac. Biomed. Anal., 2, 53 (1984)
• Cui, J.F. et al.: Yaoz. Xueb., 25, 632 (1984)