4-(dipropylcarbamoyl)-4-(phenylformamido)butanoic acid

• ChemBase编号: 103490
• 分子式: C18H26N2O4
• 平均质量: 334.41004
• 单一同位素质量: 334.18925732
• SMILES: CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1
• Canonical SMILES: CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC
• InChI: InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
• InChIKey: DGMKFQYCZXERLX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(dipropylcarbamoyl)-4-(phenylformamido)butanoic acid
• IUPAC传统名: proglumide
• 别名: 4-Benzoylamino-5-dipropylamino-5-oxopentanoic acid sodium salt; N-Benzoyl-N',N'-dipropyl-DL-isoglutamine sodium-potassium salt; PROGLUMIDE; 4-(Benzoylamino)-5-(dipropylamino)-5-oxo-pentanoic Acid; DL-4-Benzamido-N,N-dipropylglutaramic Acid; (+/-)-Proglumide; Binoside; CR 242; DL-Proglumide; Gastrotopic; Midelid; Milid; Milide; Nulsa; Promid; Ulcutin; W 5219; Xyde; Xylamide

登记号

• CAS号: 6620-60-6
• PubChem SID: 162105831
• PubChem CID: 4922

理论计算性质

• Acid pKa: 4.4169846
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.0242945
• LogD (pH = 7.4): -0.73462313
• Log P: 2.1402292
• 摩尔折射率: 91.5628 cm^3
• 极化性: 35.163136 Å^3
• 极化表面积: 86.71 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 148-150°C

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)

详细说明

MP Biomedicals - 02151950

Sodium Salt
Selective cholecystokinin antagonist, water soluble, gastrin receptor antagonist.

Toronto Research Chemicals - P755955

Anticholinergic.

参考文献

• Umetzu, T., et al.: Eur. J. Pharmacol., 64, 69 (1980)