[(2R)-3-carboxy-2-(propanoyloxy)propyl]trimethylazanium chloride

• ChemBase编号: 176945
• 分子式: C10H20ClNO4
• 平均质量: 253.7231
• 单一同位素质量: 253.10808581
• SMILES: C([C@H](C[N+](C)(C)C)OC(=O)CC)C(=O)O.[Cl-]
• Canonical SMILES: CCC(=O)O[C@@H](C[N+](C)(C)C)CC(=O)O.[Cl-]
• InChI: InChI=1S/C10H19NO4.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/t8-;/m1./s1
• InChIKey: KTFMPDDJYRFWQE-DDWIOCJRSA-N

名称和登记号

名称

• IUPAC标准名: [(2R)-3-carboxy-2-(propanoyloxy)propyl]trimethylazanium chloride
• IUPAC传统名: [(2R)-3-carboxy-2-(propanoyloxy)propyl]trimethylazanium chloride
• 别名: (2R)-3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium Chloride; (-)-Propionylcarnitine; L-Carnitine Propionyl Ester; Dromos; L-Propionylcarnitine; Levocarnitine Propionate Hydrochloride; ST 261; (R)-Propionyl Carnitine Chloride

登记号

• CAS号: 119793-66-7
• PubChem SID: 164232855
• PubChem CID: 157836

理论计算性质

• Acid pKa: 4.18514
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.9922998
• LogD (pH = 7.4): -2.9755323
• Log P: -3.7458448
• 摩尔折射率: 66.4266 cm^3
• 极化性: 21.960121 Å^3
• 极化表面积: 63.6 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: 165-167°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - P786400

L-Propionyl carnitine has been shown to improve the heart's mechanical recovery and other metabolic parameters after ischemia-reperfusion.

参考文献

• Reznick, A.Z., et al.: Arch. Biochem Biophys., 296, 394 (1992)