6-Quinazolinesulfonamide,7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo- supplier

Name
QUINETHAZONE (1.5 G)
EINECS 200-801-7
CAS No. 73-49-4
Density 1.425 g/cm³
Solubility Insoluble in water
Melting Point 250-252°
Formula C₁₀H₁₂ClN₃O₃S
Boiling Point
Molecular Weight 289.743
Flash Point
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 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;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-2,3-dihydro-4-oxo-(1H)-quinazoline-6-sulfonamide;7-Chloro-2-ethyl-6-sulfamyl-1,2,3,4-tetrahydro-4-quinazolinone;Aquamox;CL 36010;Hydromox;Idrokin;Quimethazin;Quinethazon;Quinethazone;Quinethazonum;
PSA 109.67000
LogP 3.12670

6-Quinazolinesulfonamide,7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo- Specification

The 6-Quinazolinesulfonamide,7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-, with the CAS registry number 73-49-4 and EINECS registry number 200-801-7, has the systematic name of 7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide. And the molecular formula of this chemical is C₁₀H₁₂ClN₃O₃S. It is a kind of white powder which is insoluble in water. In addition, it is a thiazide diuretic used to treat hypertension. And its common side effects include dizziness, dry mouth, nausea, and low potassium levels.

The physical properties of 6-Quinazolinesulfonamide,7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo- are as following: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.49; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 1.38; (7)ACD/KOC (pH 5.5): 43.93; (8)ACD/KOC (pH 7.4): 43.8; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.31 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 67.88 cm³; (15)Molar Volume: 203.2 cm³; (16)Polarizability: 26.91×10^-24cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.425 g/cm³.

Preparation of 6-Quinazolinesulfonamide,7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-:

6-Quinazolinesulfonamide,7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo- can be prepared as follows

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2c(Cl)cc1c(C(=O)NC(N1)CC)c2)N
(2)InChI: InChI=1/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)
(3)InChIKey: AGMMTXLNIQSRCG-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 10gm/kg (10000mg/kg)		Drugs in Japan Vol. 6, Pg. 201, 1982.

Product Name

QUINETHAZONE (1.5 G)

6-Quinazolinesulfonamide,7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo- Specification

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