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166583-12-6

166583-12-6 Structure

166583-12-6 Structure
IdentificationBack Directory
[Name]

Posaconazole DiastereoisoMer interMediate 2
[CAS]

166583-12-6
[Synonyms]

Posaconazole DiastereoisoMer interMediate 2
((3S,5S)-5-((1H-1,2,4-triazol-1-yl)methyl)-
Posacozole Diastereoisomer Related Compound 2
Posaconazole Diastereoisomer Related Compound 2
D-erythro-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
[Molecular Formula]

C21H21F2N3O4S
[MOL File]

166583-12-6.mol
[Molecular Weight]

449.47
Chemical PropertiesBack Directory
[Boiling point ]

608.1±65.0 °C(Predicted)
[density ]

1.40±0.1 g/cm3(Predicted)
[pka]

2.75±0.10(Predicted)
[InChI]

InChI=1/C21H21F2N3O4S/c1-14-3-6-20(31(27,28)29-2)17(7-14)15-9-21(30-10-15,11-26-13-24-12-25-26)18-5-4-16(22)8-19(18)23/h3-8,12-13,15H,9-11H2,1-2H3/t15-,21-/s3
[InChIKey]

SVRQEEHLAKTYHP-TWAXCLBUNA-N
[SMILES]

C1(S(OC)(=O)=O)=CC=C(C)C=C1[C@@H]1C[C@](C2=CC=C(F)C=C2F)(CN2C=NC=N2)OC1 |&1:12,14,r|
Hazard InformationBack Directory
[Uses]

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol is an important reagent in the synthesis of chiral triazolones for treatment of mycosis.
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