9-{3-[(propan-2-yl)amino]propyl}-9H-fluorene-9-carboxamide

• ChemBase编号: 77
• 分子式: C20H24N2O
• 平均质量: 308.41736
• 单一同位素质量: 308.1888634
• SMILES: O=C(N)C1(CCCNC(C)C)c2c(c3c1cccc3)cccc2
• Canonical SMILES: CC(NCCCC1(C(=O)N)c2ccccc2c2c1cccc2)C
• InChI: InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)
• InChIKey: UCEWGESNIULAGX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-{3-[(propan-2-yl)amino]propyl}-9H-fluorene-9-carboxamide
• IUPAC传统名: indecainide
• 商标名: Decabid
• 别名: Ricainid; Ricainide; Indecainidum [Latin]; Indecainida [Spanish]; 9-(3-(Isopropylamino)propyl)-9-fluorenylcarboxamid; 9-(3-(Isopropylamino)propyl))fluorene-9-carboxamide; Indecainide

登记号

• CAS号: 74517-78-5
• PubChem SID: 160963540; 46506714
• PubChem CID: 52195

理论计算性质

JChem

• Acid pKa: 16.50598
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 0.029690318
• LogD (pH = 7.4): 0.4556179
• Log P: 3.2623758
• 摩尔折射率: 94.0462 cm^3
• 极化性: 38.09791 Å^3
• 极化表面积: 55.12 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.24
• LOG S: -5.54
• 溶解度: 8.96e-04 g/l

分子性质

理化性质

• 溶解度: 1.88 mg/L
• 疏水性(logP): 3.8

详细说明

DrugBank - DB00192

• Drug Groups: approved
• Description: Indecainide is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.
• Indication: For the treatment of life-threatening dysrhythmias and sustained ventricular tachycardia.
• Pharmacology: Indecainide is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.
• Toxicity: When given orally to either young adult rats or mice, the LD50 was 100 mg/kg. Symptoms of overdose include nausea and vomiting, convulsions, hypotension, bradycardia, syncope, extreme widening of the QRS complex, widening of the QT interval, widening of the PR interval, ventricular tachycardia, AV nodal block, asystole, bundle branch block, cardiac failure, and cardiac arrest.
• Affected Organisms: Humans and other mammals
• Absorption: Nearly complete following oral administration.
• References: Giardina EV, Saroff AL, Schneider M: Effect of indecainide in patients with left ventricular dysfunction. Clin Pharmacol Ther. 1990 Nov;48(5):582-9. [Pubmed]

参考文献

• Giardina EV, Saroff AL, Schneider M: Effect of indecainide in patients with left ventricular dysfunction. Clin Pharmacol Ther. 1990 Nov;48(5):582-9. Pubmed