English name | Posaconazole 泊沙康唑 |
Synonyms | 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one;4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorobenzyl)tetrahydrofuran-3;PosaconazolChemicalbooke(FormⅢ);Posaconazole;2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol;Noxafil;Sch56592;HYDROXYPROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE |
CAS | 171228-49-2 |
EINECS | |
Molecular formula | C37H42F2N8O4 |
Molecular weight | 700.78 |
Chemical formula |
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Density | 1.36±0.1 g/cm3(Predicted) |
Melting point | 170-172°C |
Specific rotation | |
Boiling point | 850.7±75.0 °C(Predicted) |
Flashing point | 9℃ |
Solubility | Chloroform (Slightly), Methanol (Slightly) |
optical activity | [α]/D -24 to -32°, c = 1.0 in chloroform-d |
Acidity coefficient | 14.72±0.20(Predicted) |
Storage condition | -20°C |
Appearance | powder |
Colour | white to beige |
SMILES | [C@]1(OC[C@@H](COC2C=CC(N3CCN(C4=CC=C(N5C=NN([C@@H](CC)[C@@H](O)C)C5=O)C=C4)CC3)=CC=2)C1)(CN1N=CN=C1)C1=CC=C(F)C=C1F |&1:0,3,22,25,r| |
Merck | 14,7602 |
InChIKey | RAGOYPUPXAKGKH-XAKZXMRKSA-N |
Dangerous mark | F,T |
Risk phrases | 11-23/24/25-39/23/24/25 |
Safety phrases | 7-16-36/37-45 |
Dangerous goods transport No. | UN1230 - class 3 - PG 2 - Methanol, solution |
WGK Germany | 3 |
RTECS | XZ5481020 |
Upstream raw materials | Posaconazole impurities |
