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.
