cloxacillin cloxacillin
structural formula
| business number | 01by |
|---|---|
| molecular formula | c19h18cln3o5s |
| molecular weight | 435.88 |
| label |
o-cloxacillin, cloxacillin, chlorozoline |
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
