sulfamethazine sulfamerazine

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:127-79-7

mdl number:mfcd00023212

einecs number:204-866-2

rtecs number:wp0750000

brn number:249133

pubchem number:24899818

physical property data

none

toxicological data

, acute toxicity: rat subcutaneous ld5o: 1890mg/kg

rat intravenously injected ld5o: 1100mg/kg

mouse oral ld5o: 25gm/kg

mouse transperitoneal cavity ld5o: 1400mg/kg

mouse subcutaneous ld5o: 1190mg/kg

2, other multiple dose toxicity: monkey oral tdlo: 45020mg/kg/17d-i

3, reproductive toxicity: oral administration to rats (male, before mating)tdlo:17934mg/kg/6w

mice (female, after fertilization) orallytdlo: 6gm/kg/6-10d

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 67.76

2. molar volume (m³/mol）：183.5

3. isotonic specific volume (90.2k):542.6

4. surface tension (dyne/cm):76.4

5. polarizability（10^-24cm³):26.86

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: 6

4. number of rotatable chemical bonds: 3

5. number of tautomers: 6

6. topological molecule polar surface area 106

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 360

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

n>molar volume (m³/mol):183.5

3. isotonic specific volume (90.2k):542.6

4. surface tension (dyne/cm):76.4

5. polarizability（10^-24cm³):26.86

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: 6

4. number of rotatable chemical bonds: 3

5. number of tautomers: 6

6. topological molecule polar surface area 106

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 360

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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