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7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
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ChemBase ID:
1159
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Molecular Formular:
C10H12ClN3O3S
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Molecular Mass:
289.73858
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Monoisotopic Mass:
289.02878994
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SMILES and InChIs
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
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Cite this record
CBID:1159 http://www.chembase.cn/molecule-1159.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
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IUPAC Traditional name
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@quinethazone
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quinethazone
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Brand Name
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Synonyms
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Chinetazone [dcit]
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Chinethazonum
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Quinetazona [inn-spanish]
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Quinethazon
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Quinethazonum [inn-latin]
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Quinethazone
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2-Ethyl-7-chloro-1,2,3,4-tetrahydro-4-oxoquinazoline-6-sulfonamide
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2-Ethyl-7-chloro-2,3-dihydro-4(1H)-quinazolone-6-sulfonamide
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Aquamox
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CL 36010
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Hydromox
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Idrokin
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Quimethazin
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Quinethazonum
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7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-quinazolinesulfonamide
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7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-sulfamoylquinazoline
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7-Chloro-2-ethyl-6-sulfamyl-1,2,3,4-tetrahydro-4-quinazolinone
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
ALOGPS 2.1
Acid pKa
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9.55768
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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1.185364
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LogD (pH = 7.4)
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1.182731
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Log P
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1.1853977
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Molar Refractivity
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69.3412 cm3
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Polarizability
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26.442701 Å3
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Polar Surface Area
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101.29 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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Log P
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1.6
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LOG S
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-2.06
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Solubility (Water)
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2.51e+00 g/l
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Solubility
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0.15 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)]
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Show
data source
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DETAILS
DETAILS
DrugBank
TRC
DrugBank -
DB01325
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Item |
Information |
Drug Groups
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approved |
Description
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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 |
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Humans and other mammals |
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External Links |
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PATENTS
PATENTS
PubChem Patent
Google Patent