structural formula
| business number | 03nu |
|---|---|
| molecular formula | c16h17kn2o5s |
| molecular weight | 388.48 |
| label |
phenoxymethylpenicillin potassium salt, aromatic compounds |
numbering system
cas number:132-98-9
mdl number:mfcd00051771
einecs number:205-086-5
rtecs number:xh9275000
brn number:3899451
pubchem number:24870330
physical property data
1. character:crystal
toxicological data
acute toxicity data:
rat orally ld50 ：>1040mg/kg
rat abdominal cavityld50: 1750mg/kg
rat intramuscular ld50 ：1124mg/kg
mice orally ld50 ：>4mg/kg
mouse abdominal cavityld50: 1351mg/kg
mouse subcutaneous ld50: >4mg/kg
mouse veinld50:1mg/kg
other multi-dose data:
other multi-dose data
rat sutra 口tdlo：195mg/kg/13w-i
mouse sutra 口tdlo：16250mg/kg/13w-i
mutagenicity data:
human lymphocytes: 3mg/l
mouse lymphocytes: 250mg/l
rodent–hamster ovary: 9mg/l
sisters color sheet body rodent – hamster ovary: 500mg/l
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: 25
8. surface charge: 0
9. complexity: 553
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 3
12. the number of uncertain atomic stereocenters: 0
5. number of tautomers: 2
6. topological molecular polar surface area (tpsa):98.8
7. number of heavy atoms: 25
8. surface charge: 0
9. complexity: 553
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 3
12. the number of uncertain atomic stereocenters: 0
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
basic properties
crystallization. dissolved in water. specific optical rotation [α]d25 +223° (c=0.2). the median lethal dose (rat, oral) is >1040mg/kg.
storage method
storage
stored sealed in a cool, dry place.
synthesis method
none yet
purpose
purpose
biochemical research. medium preparation.
-align: left; tab-stops: list 54.0pt; mso-list: l0 level1 lfo1; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>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
basic properties
crystallization. dissolved in water. specific optical rotation [α]d25 +223° (c=0.2). the median lethal dose (rat, oral) is >1040mg/kg.
storage method
storage
stored sealed in a cool, dry place.
synthesis method
none yet
purpose
purpose
biochemical research. medium preparation.
