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59943-31-6

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Basic Information
CAS No.: 59943-31-6
Name: DU 717
Article Data: 4
Molecular Structure:
Molecular Structure of 59943-31-6 (DU 717)
Formula: C12H15 Cl N4 O2 S
Molecular Weight: 314.796
Synonyms: DU 717
Density: 1.57g/cm3
Boiling Point: 483.6oC at 760 mmHg
Flash Point: 246.3oC
Safety: Poison by intravenous route. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx.
PSA: 73.39000
LogP: 1.58780
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Chemistry

The Molecular Structure of 7-Chloro-3-(4-methyl-1-piperazinyl)-4H-1,2,4-benzothiadiazine-1,1-dioxide (CAS NO.59943-31-6):

Molecular Formula: C12H15ClN4O2S
Molecular Weight: 314.791100 g/mol
Index of Refraction: 1.712
Molar Refractivity: 78.38 cm3
Molar Volume: 200 cm3
Surface Tension: 62.9 dyne/cm
Density: 1.57 g/cm3
Flash Point: 246.3 °C
Enthalpy of Vaporization: 74.87 kJ/mol
Boiling Point: 483.6 °C at 760 mmHg
Vapour Pressure: 1.65E-09 mmHg at 25°C 
InChI
InChI=1/C12H15ClN4O2S/c1-16-4-6-17(7-5-16)12-14-10-3-2-9(13)8-11(10)20(18,19)15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
Smiles
c12c(NC(N3CCN(C)CC3)=NS1(=O)=O)ccc(c2)Cl 
The IUPAC of 7-Chloro-3-(4-methyl-1-piperazinyl)-4H-1,2,4-benzothiadiazine-1,1-dioxide (CAS NO.59943-31-6) is 7-chloro-3-(4-methylpiperazin-1-yl)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide .

Toxicity Data With Reference

1.    

ivn-rat LD50:551 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 11 (1980),294.
2.    

ivn-mus LD50:242 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 11 (1980),294.
3.    

ivn-dog LD50:400 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 11 (1980),294.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx.

Specification

 7-Chloro-3-(4-methyl-1-piperazinyl)-4H-1,2,4-benzothiadiazine-1,1-dioxide (CAS NO.59943-31-6) is also called as  DU 717 ; 7-Chloro-3-(4-methyl-1-piperazinyl)-4H-1,2,4-benzothiadiazine-1,1-dioxide ; NSC 292806 ; 2H-1,2,4-Benzothiadiazine, 7-chloro-3-(4-methyl-1-piperazinyl)-, 1,1-dioxide ; 7-Chloro-3-(4-methyl-1-piperazinyl)-2H-1,2,4-benzothiadiazine-1,1-dioxide .