(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium

• ChemBase编号: 1401
• 分子式: C23H33N2O+
• 平均质量: 353.52092
• 单一同位素质量: 353.25928869
• SMILES: O=C(N)C(CC[N+](C(C)C)(C(C)C)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC([N+](C(C)C)(CCC(c1ccccc1)(c1ccccc1)C(=O)N)C)C
• InChI: InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1
• InChIKey: JTPUMZTWMWIVPA-UHFFFAOYSA-O

名称和登记号

名称

• IUPAC标准名: (3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium
• IUPAC传统名: isopropamide
• 商标名: Darbid; Dipramid; Dipramide; Isamid; Marygin-M; Piaccamide; Priamide; Priazimide; Sanulcin; Tyrimide
• 别名: 2,2-Diphenyl-4-diisopropylaminobutyramide methiodide; 4-(Diisopropylamino)-2,2-diphenylbutyramide methiodide; Chloroisopropamide; Isopropamide iodide; Isoproponum iodide; Isopropamide

登记号

• CAS号: 7492-32-2
• PubChem SID: 46507726; 160964861
• PubChem CID: 3775

理论计算性质

JChem

• Acid pKa: 16.314844
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.13792199
• LogD (pH = 7.4): 0.13792323
• Log P: 0.13792197
• 摩尔折射率: 120.7427 cm^3
• 极化性: 42.898727 Å^3
• 极化表面积: 43.09 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.27
• LOG S: -6.96
• 溶解度: 4.24e-05 g/l

详细说明

DrugBank - DB01625

• Drug Groups: approved
• Description: Isopropamide iodide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.
• Indication: For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm.
• Pharmacology: Isopropamide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.
• Toxicity: Symptoms of overdose include dryness of mouth, dysphagia, thirst, blurred vision, dilated pupils, photophobia, fever, rapid pulse and respiration, disorientation. Depression and circulatory collapse may result from severe overdosage.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia