Posacona­zole CAS 171228-49-2

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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 devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Lim­it­ed (http://​www​.cam​ing​.com/).

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