7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

• ChemBase编号: 1159
• 分子式: C10H12ClN3O3S
• 平均质量: 289.73858
• 单一同位素质量: 289.02878994
• SMILES: Clc1c(S(=O)(=O)N)cc2c(NC(NC2=O)CC)c1
• Canonical SMILES: CCC1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl
• InChI: InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
• InChIKey: AGMMTXLNIQSRCG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
• IUPAC传统名: @quinethazone; quinethazone
• 商标名: Aquamox; Hydromox; Idrokin
• 别名: Chinetazone [dcit]; Chinethazonum; Quinetazona [inn-spanish]; Quinethazon; Quinethazonum [inn-latin]; Quinethazone; 2-Ethyl-7-chloro-1,2,3,4-tetrahydro-4-oxoquinazoline-6-sulfonamide; 2-Ethyl-7-chloro-2,3-dihydro-4(1H)-quinazolone-6-sulfonamide; Aquamox; CL 36010; Hydromox; Idrokin; Quimethazin; Quinethazonum; 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-quinazolinesulfonamide; 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-sulfamoylquinazoline; 7-Chloro-2-ethyl-6-sulfamyl-1,2,3,4-tetrahydro-4-quinazolinone

登记号

• CAS号: 73-49-4
• PubChem SID: 160964622; 46507280
• PubChem CID: 6307

理论计算性质

JChem

• Acid pKa: 9.55768
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 1.185364
• LogD (pH = 7.4): 1.182731
• Log P: 1.1853977
• 摩尔折射率: 69.3412 cm^3
• 极化性: 26.442701 Å^3
• 极化表面积: 101.29 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 1.6
• LOG S: -2.06
• 溶解度: 2.51e+00 g/l

分子性质

理化性质

• 溶解度: 0.15 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)]

详细说明

DrugBank - DB01325

• Drug Groups: approved
• Description: Quinethazone (INN, brand name Hydromox) is a thiazide diuretic used to treat hypertension. Common side effects include dizziness, dry mouth, nausea, and low potassium levels.
• Indication: Used to treat hypertension.
• Pharmacology: Quinethazone is a thiazide diuretic used to treat hypertension. It inhibits Na^+/Cl^- reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia

Toronto Research Chemicals - Q670400

Quinethazone is a thiazide diuretic used to treat hypertension.

参考文献

• DeLuca, F.M.: Sett. Med., 54, 747 (1966)
• Dettli, L. et al.: Ann. N.Y. Acad. Sci., 139, 471 (1966)