[(1R)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine hydrochloride

• ChemBase编号: 178300
• 分子式: C22H27ClF3N
• 平均质量: 397.9046896
• 单一同位素质量: 397.17841221
• SMILES: c12CCCCc1cccc2[C@H](NCCCc1cccc(c1)C(F)(F)F)C.Cl
• Canonical SMILES: C[C@H](c1cccc2c1CCCC2)NCCCc1cccc(c1)C(F)(F)F.Cl
• InChI: InChI=1S/C22H26F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h4-5,7,10-11,13,15-16,26H,2-3,6,8-9,12,14H2,1H3;1H/t16-;/m1./s1
• InChIKey: RCYQZFGCGSJOBC-PKLMIRHRSA-N

名称和登记号

名称

• IUPAC标准名: [(1R)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine hydrochloride
• IUPAC传统名: [(1R)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine hydrochloride
• 别名: (αR)-5,6,7,8-Tetrahydro-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethanamine Hydrochloride; Tetrahydrocinacalcet Hydrochloride; Tetrahydro Cinacalcet Hydrochloride

登记号

• CAS号: 229225-43-7
• PubChem SID: 164234210
• PubChem CID: 67998955

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.5132642
• LogD (pH = 7.4): 4.1571093
• Log P: 6.7359753
• 摩尔折射率: 101.1493 cm^3
• 极化性: 37.957592 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - T293265

Tetrahydrocinacalcet is a hydrogenated impurity of Cinacalcet (C441800).