Posaconazole CAS 171228-49-2
Identification
CAS Number
171228-49-2
Name
Posaconazole
Synonyms
171228-49-2 [RN]
2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxy-3-pentanyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)-1-piperazinyl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)- D-threo-pentitol [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
2,5-Anhydro-1,3,4-tridésoxy-2-(2,4-difluorophényl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxy-3-pentanyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phényl)-1-pipérazinyl]phénoxy}méthyl)-1-(1H-1,2,4-triazol-1-yl) -D-thréo-pentitol [French] [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridesoxy-2-(2,4-difluorphenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxy-3-pentanyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)-1-piperazinyl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)- D-threo-pentitol [German] [ACD/IUPAC Name]
4-[4-[4-[4-[[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
4-{4-[4-(4-{[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-{4-[4-(4-{[(3R,5R)-5-(2,4-difluorophényl)-5-(1H-1,2,4-triazol-1-ylméthyl)tétrahydrofuran-3-yl]méthoxy}phényl)pipérazin-1-yl]phényl}-2-[(1S,2S)-1-éthyl-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
6TK1G07BHZ
D-threo-Pentitol, 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)- [ACD/Index Name]
D-threo-pentitol, 2,5-anhydro-1,
SMILES
CC[C@@H]([C@H](C)O)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F
StdInChI
InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
StdInChIKey
RAGOYPUPXAKGKH-XAKZXMRKSA-N
Molecular Formula
C37H42F2N8O4
Molecular Weight
700.777
MDL Number
MFCD00941162
Properties
Appearance
white to off-white powder
Melting point
166°C~169°C
Structure
Safety Data
Symbol
WGK Germany
3
MSDS Download
Specifications and Other Information of Our
Identification Methods
HNMR, HPLC
Assay
102.0%
Specific Optical Rotation
-25°~-30°
Related substances
Impurity 17 ≤0.15%
Any unspecified single impurity ≤0.1%
Total impurities ≤0.5%
Single impurity (RRT0.45~0.75) ≤0.10%
Total impurities (RRT0.45~0.75) ≤0.5%
Residual solvent
Toluene≤ 0.089%
Methanol≤ 0.3%
Isopropanol ≤ 0.5%
Dichloromethane ≤0.06%
N,N-Dimethylformamide ≤0.088%
Loss on Drying
≤0.5%
Residue on Ignition
≤0.1%
Methyl tert-butyl ether
Methyl tert-butyl ether ≤0.5%
Palladium
≤ 10ppm
Microbial Limit
Total aerobic microbial count ≤1000cfu/g
Total yeast and molds count ≤100cfu/g
Escherichia coli should not be detected
Polymorphism
The XRD pattern of this product should be consistent with that of posaconazole crystal form I
Shelf Life
2 years
Storage
Under room temperature away from light
Known Application
Posaconazole is a second-generation triazole antifungal drug widely used for the prevention and treatment of invasive fungal infections.
General View of Documents
Links
This product is developed by our R&D company Caming Pharmaceutical Limited (http://www.caming.com/).
This product is sold exclusively through our sales company Watson International Limited, and please click the link below for details (https://www.watson-int.com/).
