(2S)-2,6-diamino-N-[(2R)-1-phenyl(3,3,3-2H3)propan-2-yl]hexanamide

• ChemBase编号: 172342
• 分子式: C15H25N3O
• 平均质量: 263.3785
• 单一同位素质量: 263.19976244
• SMILES: c1(C[C@H](NC(=O)[C@H](CCCCN)N)C)ccccc1
• Canonical SMILES: NCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C)N
• InChI: InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14+/m1/s1
• InChIKey: VOBHXZCDAVEXEY-OCCSQVGLSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2,6-diamino-N-[(2R)-1-phenyl(3,3,3-^2H₃)propan-2-yl]hexanamide
• IUPAC传统名: (2S)-2,6-diamino-N-[(2R)-1-phenyl(3,3,3-^2H₃)propan-2-yl]hexanamide
• 别名: (2S)-2,6-Diamino-N-[(1S)-1-(methyl-d3)-2-phenylethyl]hexanamide DiHydrochloride; Lisdexamphetamine-d3 Dihydrochloride

登记号

• PubChem SID: 164228252
• PubChem CID: 71749818

理论计算性质

• Acid pKa: 15.885676
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -4.57143
• LogD (pH = 7.4): -2.5414438
• Log P: 1.1358308
• 摩尔折射率: 78.3148 cm^3
• 极化性: 31.178026 Å^3
• 极化表面积: 81.14 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Pale Brown Solid
• 熔点: 96-102°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

详细说明

Toronto Research Chemicals - L468882

Labelled Lisdexamfetamine. A new, novel amphetamine product, has been shown to provide efficacy upwards of 12 h in children and adults with a side effect profile similar to those of other longer-acting amphetamine products.Controlled substance.

参考文献

• Biederman, J., et al.: Clin. Ther., 29, 450 (2007)
• Medori, R., et al.: Biol. Psychiatry., 63, 981 (2007)
• Krishnan, S., et al.: Clin. Drug Investig., 28, 745 (2007)
• Ramos-Quiroga, J., et al.: CNS Drugs, 22, 603 (2007)