2-hydroxypropane-1,2,3-tricarboxylic acid; ethylbis(3-phenylpropyl)amine

• ChemBase编号: 104097
• 分子式: C26H35NO7
• 平均质量: 473.5586
• 单一同位素质量: 473.24135247
• SMILES: CCN(CCCc1ccccc1)CCCc1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O
• Canonical SMILES: OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN(CCCc1ccccc1)CCCc1ccccc1
• InChI: InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: RYHCACJBKCOBTJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxypropane-1,2,3-tricarboxylic acid; ethylbis(3-phenylpropyl)amine
• IUPAC传统名: alverine; citric acid; alverine; citro
• 别名: N-乙基-3,3′-二苯二丙胺; 阿尔维林 柠檬酸盐; NSC 35459; Alverine citrate salt; N-Ethyl-N-(3-phenylpropyl)benzenepropanamine 2-Hydroxy-1,2,3-propanetricarboxylate; N-Ethyl-3,3'-diphenyldipropylamine Citrate; Antispasmin; Calmabel; Gamatran; Profenine; Prophelan; Proverine; Spacolin; Spasmaverine; Spasmonal; Alverine Citrate; N-Ethyl-3,3'-diphenlyldipropylamine; ALVERINE

登记号

• CAS号: 5560-59-8
• EC号: 226-929-3
• MDL号: MFCD00035086
• PubChem SID: 24890425; 162092757
• PubChem CID: 21718

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.976472
• LogD (pH = 7.4): 2.54984
• Log P: 5.4623833
• 摩尔折射率: 92.6739 cm^3
• 极化性: 36.165768 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 作用靶点: Others

产品相关信息

• 成盐信息: Citrate

详细说明

MP Biomedicals - 02154732

(N-Ethyl-3,3'-diphenlyldipropylamine) Citrate Salt

Sigma Aldrich - A0424

包装
5 g in poly bottle
Application
Used for studies of pharmacological activity including:
• Synergism with fluconazole against Saccharomyces cerevisiae and Candida albicans1
• Efficacy of combination with simeticone on abdominal pain associated with irritable bowel syndrome2
• Nutrient-sensitized screening for drugs that shift energy metabolism from mitochondrial respiration to glycolysis3
• Drug effects viewed from a signal transduction network perspective4
• Enhanced cytotoxic effect of proteasome inhibitor MG1325
• Mechanism of action on phasic smooth muscles6

Toronto Research Chemicals - A575780

An adrenergic-β3 receptor agonist. Antispasmodic.

参考文献

• Stuhner, et al.: Arch. Pharm., 287, 139 (1954)
• Salim, E.F., et al.: J. Pharm. Sci., et al.: 56, 1162 (1954)
• Tudor, G.J., et al.: Br. J. Clin. Pract., 40, 276 (1954)