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
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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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