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171228-49-2

Name Posaconazole
CAS 171228-49-2
EINECS(EC#) 682-747-8
Molecular Formula C37H42F2N8O4
MDL Number MFCD00941162
Molecular Weight 700.78
MOL File 171228-49-2.mol

Chemical Properties

Appearance White Solid
Melting point  170-1720C
Boiling point  850.7±75.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
Fp  9℃
storage temp.  -20°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  powder
pka 14.72±0.20(Predicted)
color  white to beige
optical activity [α]/D -24 to -32°, c = 1.0 in chloroform-d
Usage Orally active triazole antifungal.
Merck  14,7602
InChIKey RAGOYPUPXAKGKH-XAKZXMRKSA-N
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|
CAS DataBase Reference 171228-49-2(CAS DataBase Reference)

Safety Data

Hazard Codes  F,T
Risk Statements 
Safety Statements 
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  3
RTECS  XZ5481020
HS Code  3204.90.0000
Hazardous Substances Data 171228-49-2(Hazardous Substances Data)

Hazard Information

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