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| CAS No.: | 108321-42-2 |
|---|---|
| Name: | Geneticin |
| Molecular Structure: | |
 |
|
| Formula: | C20H40N4O10.2(H2SO4) |
| Molecular Weight: | 692.70 |
| Synonyms: | G418 Sulfate;Geneticin/G418 sulfate;G-418 Sulfate Solid;Geneticin Sulfate / G418 Sulfate;Geneticin disulfate;G-418; |
| EINECS: | 600-864-4 |
| Boiling Point: | 1012.1 °C at 760 mmHg |
| Flash Point: | 565.9 °C |
| Solubility: | water: 50 mg/mL |
| Appearance: | white to off-white powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25-36/37-23-36-26 |
| PSA: | 414.35000 |
| LogP: | -2.26520 |
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Specification
The G418 sulfate , with cas registry number of 108321-42-2, is also called Geneticin . Its IUPAC name is called 2-[4,6-diamino-3-[3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid . It belongs to the product categories of Antibiotic.
Physical properties of G418 sulfate : (1) H bond acceptors: 22; (2) H bond donors: 17; (3) Freely Rotating Bonds: 15; (4) Polar Surface Area: 227.22 Å2; (5) Enthalpy of Vaporization: 167.37 kJ/mol.
When you are using this chemical, please be cautious about it as the following:
The G418 sulfate is harmful by inhalation, in contact with skin and if swallowed. It also irritates to eyes, respiratory system and skin. Before use it, wear suitable protective clothing and gloves. Meanwhile, do not breathe dust and vapour, and avoid contact with skin and eyes. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. At last, G418 sulfate should be stored at the temperature of 2-8°C。
You can still convert the following datas into molecular structure:
(1) SMILES:O=S(=O)(O)O.O=S(=O)(O)O.O[C@@]3(C)[C@@H](NC)[C@H](O)[C@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]1O[C@H](C(O)C)[C@@H](O)[C@H](O)[C@H]1N)[C@@H]2O)OC3;
(2) InChI:InChI=1/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6?,7-,8+,9+,10+,11-,12-,13-,14+,15+,16-,17-,18+,19-,20+;;/m0../s1;
(3) InChIKey:UHEPSJJJMTWUCP-NKCAIAFTBA