Structural formula
| Business number | 03P0 |
|---|---|
| Molecular formula | C14H12CaN2O6 |
| Molecular weight | 344.33 |
| label |
Calcium para-aminosalicylate, Calcium 4-aminosalicylate heptahydrate, P-aminosalicylic acid calcium salt, aromatic compounds |
Numbering system
CAS number:133-15-3
MDL number:MFCD04038035
EINECS number:205-095-4
RTECS number:VO1470000
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
Acute toxicity data:
Mice orally LD50 ：6500mg/kg
Mouse abdominal cavityLD50: 5mg/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: 4
3. Number of hydrogen bond acceptors: 8
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 78
6. Topological molecular polar surface area (TPSA):173
7. Number of heavy atoms: 23
8. Surface charge: 0
9. Complexity: 154
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
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: 3
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
SPAN>
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
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: 3
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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