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(5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester, TRC

Product Code. 30457350
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100 mg
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Product Code. 30457350 Supplier Toronto Research Chemicals Supplier No. TRCT535900100MG

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Specifications

Chemical Name or Material (5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester
CAS 149809-43-8
Molecular Formula C21 H21 F2 N3 O4 S
Quantity 100 mg
Synonym 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-threo-pentitol, Posaconazole Impurity
InChI Formula InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21-/m0/s1
SMILES Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2CO[C@](Cn3cncn3)(C2)c4ccc(F)cc4F
IUPAC Name [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate
Molecular Weight (g/mol) 449.47
Formula Weight 449.1221
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