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O-bencil posaconazol-d4, TRC

Código de producto. 30334993
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Cantidad:
10 mg
Tamaño de la unidad:
10 miligramos
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30334993 10 mg 10 miligramos
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Código de producto. 30334993 Proveedor Toronto Research Chemicals N.º de proveedor TRCB28866210MG

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Specifications

Nombre del producto químico o material O-Benzyl Posaconazole-d4
CAS 1246818-95-0
Fórmula molecular C44H44D4F2N8O4
Cantidad 10 mg
Sinónimo 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-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)-D-threo-pentitol-d4
Fórmula InChI InChI=1S/C44H48F2N8O4/c1-3-42(32(2)56-25-33-7-5-4-6-8-33)54-43(55)53(31-49-54)38-12-10-36(11-13-38)50-19-21-51(22-20-50)37-14-16-39(17-15-37)57-26-34-24-44(58-27-34,28-52-30-47-29-48-52)40-18-9-35(45)23-41(40)46/h4-18,23,29-32,34,42H,3,19-22,24-28H2,1-2H3/t32-,34+,42-,44-/m0/s1/i10D,11D,12D,13D
SMILES [2H]c1c([2H])c(N2C=NN([C@@H](CC)[C@H](C)OCc3ccccc3)C2=O)c([2H])c([2H])c1N4CCN(CC4)c5ccc(OC[C@@H]6CO[C@](Cn7cncn7)(C6)c8ccc(F)cc8F)cc5
Nombre IUPAC 2-[(2S,3S)-2-fenilmetoxipentan-3-il]-4-[2,3,5,6-tetradeuterio-4-[4-[4-[[(3R,5R)-5-(2,4-difluorofenil)-5-(1,2,4-triazol-1-ilmetil)oxolan-3-il]metoxi]fenil]piperazin-1-il]fenil]-1,2,4-triazol-3-ona
Peso molecular (g/mol) 794.92
Formula Weight (peso de la fórmula) 794.4018
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