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Name |
Calcium 4-aminosalicylate |
EINECS | 205-095-4 |
CAS No. | 133-15-3 | Density | 1.491g/cm3 |
PSA | 145.10000 | LogP | 2.35340 |
Solubility | N/A | Melting Point |
150-151oC, with effervescence |
Formula | 2(C7H6NO3).Ca | Boiling Point | 380.8 °C at 760 mmHg |
Molecular Weight | 344.34 | Flash Point | 184.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ca-PAS;Calcipas;Calcium4-aminosalicylate;Calcium aminosalicylate;Calcium p-aminosalicylate;Monocalcium p-aminosalicylate;Paracipan;Pasara calcium;Pasmicina;p-Aminosalicylic acid calcium salt;Salicylicacid, 4-amino-, calcium salt (2:1) (8CI);Aminacyl; |
The CAS register number of Calcium 4-aminosalicylate is 133-15-3. It also can be called as Benzoic acid, 4-amino-2-hydroxy-, calcium salt (2:1) and the IUPAC name about this chemical is calcium 4-amino-2-hydroxybenzoate. The molecular formula about this chemical is 2(C7H6NO3).Ca and the molecular weight is 344.34. It belongs to the following product categories, such as Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds and so on.
Physical properties about Calcium 4-aminosalicylate are: (1)ACD/LogP: 1.14; (2)#H bond acceptors: 4; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 49.77Å2; (6)Flash Point: 184.1 °C; (7)Enthalpy of Vaporization: 66.34 kJ/mol; (8)Boiling Point: 380.8 °C at 760 mmHg; (9)Vapour Pressure: 1.78E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].O=C([O-])c1ccc(cc1O)N.[O-]C(=O)c1ccc(N)cc1O
(2)InChI: InChI=1/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2
(3)InChIKey: XDWVNCOPMIEDJK-NUQVWONBAM
(4)Std. InChI: InChI=1S/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2
(5)Std. InChIKey: XDWVNCOPMIEDJK-UHFFFAOYSA-L
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 5gm/kg (5000mg/kg) | Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, Biochemie, Biophysik, Biologie. Vol. 6B, Pg. 183, 1951. | |
mouse | LD50 | oral | 6500mg/kg (6500mg/kg) | Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, Biochemie, Biophysik, Biologie. Vol. 6B, Pg. 183, 1951. |