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
structure of Posaconazole CAS 171228-49-2
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 sold exclusively through our sales company Watson International Limited, and please click the link below for details (https://www.watson-int.com/).