cloxacillin cloxacillin

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:61-72-3

mdl number:mfcd00150735

einecs number:200-514-7

rtecs number:xh8750000

brn number:none

pubchem id:none

physical property data

none yet

toxicological data

1, acute toxicity: oral administration to men tdlo: 429mg/kg/10d-i; orally administered to women tdlo: 200mg/kg/5d-i; oral administration to children tdlo: 5600mg/kg/5w-i; oral administration to mice ld50：8100ug/kg
2, other multiple dose toxicity: rats intravenous tdlo: 7mg/kg/4w-i

3, mutagenicity: sister chromatidsexchangetest system: human lymphocytes: 400mg/l

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 106.15

2. molar volume (m³/mol）：279.2

3. isotonic specific volume (90.2k):833.1

4. surface tension (dyne/cm):79.2

5. polarizability（10^-24cm³): 42.08

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: 4

5. number of tautomers: 4

6. topological molecule polar surface area 138

7. number of heavy atoms: 29

8. surface charge: 0

9. complexity: 722

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 3

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

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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: 4

5. number of tautomers: 4

6. topological molecule polar surface area 138

7. number of heavy atoms: 29

8. surface charge: 0

9. complexity: 722

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 3

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet