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73-49-4 molecular structure
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7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

ChemBase ID: 1159
Molecular Formular: C10H12ClN3O3S
Molecular Mass: 289.73858
Monoisotopic Mass: 289.02878994
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

Cite this record

CBID:1159 http://www.chembase.cn/molecule-1159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
IUPAC Traditional name
@quinethazone
quinethazone
Brand Name
Aquamox
Hydromox
Idrokin
Synonyms
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
CAS Number
73-49-4
PubChem SID
160964622
46507280
PubChem CID
6307

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
TRC
Q670400 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 9.55768  H Acceptors
H Donor LogD (pH = 5.5) 1.185364 
LogD (pH = 7.4) 1.182731  Log P 1.1853977 
Molar Refractivity 69.3412 cm3 Polarizability 26.442701 Å3
Polar Surface Area 101.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 1.6  LOG S -2.06 
Solubility (Water) 2.51e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.15 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

DrugBank DrugBank TRC TRC
DrugBank - DB01325 external link
Item Information
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 external link
Quinethazone is a thiazide diuretic used to treat hypertension.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • DeLuca, F.M.: Sett. Med., 54, 747 (1966)
  • • Dettli, L. et al.: Ann. N.Y. Acad. Sci., 139, 471 (1966)
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PATENTS

PATENTS

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INTERNET

INTERNET

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