Methylchlorthiazide

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:135-07-9

MDL number:MFCD00242610

EINECS number:205-172-2

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

Acute toxicity data :

Rat Sutra Mouth LD50: >4mg/kg

Rat abdominal cavity LD50：2mg/kg

Mouse Sutra MouthLD50：>10mg/kg

Mouse abdominal cavity LD50：870mg/kg

Mouse vein LD50：400mg/kg

Mutation data ：

Hamster fiber Cells: 250mg/L

Hamster Lung: 140mg/L

Ecological data

None

Molecular structure data

Molecular property data:

1、 Molar refractive index：77.02

2、 Molar volume（m³/mol): 223.2

3、 Isotonic specific volume（90.2K）：608.4

4、 Surface tension（3.0 dyne/cm SPAN>):55.1

5、 Polarizability（ 0.5 10^-24cm³): 30.53

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 126

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 571

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

t”>Surface tension( 3.0 dyne/cm):55.1

5、 Polarizability（ 0.5 10^-24cm³): 30.53

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 126

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 571

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None