structural formula
| business number | 03nt |
|---|---|
| molecular formula | c17h19kn2o5s |
| molecular weight | 402.51 |
| label |
phenoxyethylpenicillin, phenethylpenicillin, phenecillin potassium, penicillin 152, penicillin b, ampicillin potassium, aromatic compounds |
numbering system
cas number:132-93-4
mdl number:none
einecs number:205-084-4
rtecs number:none
brn number:none
pubchem id:none
physical property data
none yet
toxicological data
acute toxicity data:
rat abdominal cavityld50: 1750mg/kg
mice orally ld50 ：>2mg/kg
mouse abdominal cavityld50: 1896mg/kg
mouse veinld50:312mg/kg
dog veinld50:>103mg/kg
guinea pig veinld50:324mg/kg
ecological data
none yet
molecular structure data
none yet
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 5
5. number of tautomers: 2
6. topological molecular polar surface area (tpsa):98.8
7. number of heavy atoms: 26
8. surface charge: 0
9. complexity: 582
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 3
12. the number of uncertain atomic stereocenters: 1
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
; font-family: arial; mso-bidi-font-family: arial”>surface charge: 0
9. complexity: 582
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 3
12. the number of uncertain atomic stereocenters: 1
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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