(1S,3S,5R,7S)-3-(2H3)methyl-5-methyladamantan-1-amine hydrochloride

• ChemBase编号: 172628
• 分子式: C12H22ClN
• 平均质量: 215.76278
• 单一同位素质量: 215.14407739
• SMILES: [C@]12(C[C@H]3C[C@@](C1)(C[C@@](C2)(C3)N)C)C.Cl
• Canonical SMILES: C[C@]12C[C@@H]3C[C@@](C1)(C)C[C@](C2)(C3)N.Cl
• InChI: InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9-,10+,11-,12-
• InChIKey: LDDHMLJTFXJGPI-VXMZOEJHSA-N

名称和登记号

名称

• IUPAC标准名: (1S,3S,5R,7S)-3-(^2H₃)methyl-5-methyladamantan-1-amine hydrochloride
• IUPAC传统名: (1S,3S,5R,7S)-3-(^2H₃)methyl-5-methyladamantan-1-amine hydrochloride
• 别名: 3,5-(Dimethyl-d3)tricyclo[3.3.1.13,7]decan-1-amine Hydrochloride; 3,5-(Dimethyl-d3)-1-adamantanamine; 1-Amino-3,5-(dimethyl-d3)adamantane Hydrochloride; Akatinol-d3; Axura-d3; Ebix-d3; Ebixia-d3; Ebixza-d3; NSC 102290-d3; Namenda-d3; SUN Y7017-d3; Tocris-d3; Memantine-d3 Hydrochloride

登记号

• PubChem SID: 164228538
• PubChem CID: 71749945

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.9641042
• LogD (pH = 7.4): -0.7781375
• Log P: 2.0660417
• 摩尔折射率: 54.4858 cm^3
• 极化性: 22.19729 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M218003

Deuterated, Memantine (M218000) which is used as an antiparkinsonian and antispasmodic.

参考文献

• Rohde, H., et al.: Fortschr. Med., 100, 2023 (1982)
• Kornhuber, J., et al.: Eur. J. Pharmacol., 166, 589 (1982)
• Gortelmeyer, R., et al.: Arzneim.-Forsch., 42, 904 (1982)