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Aducto de adición de ibrutinib con (R)-1-(3-(4-Amino-3-(4-fenoxifenil)-1H-pirazolo[3,4-d]pirimidin-1-il)piperidin-1-il), TRC

Product Code. 30397961
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Cantidad:
50 mg
Unit Size:
50 miligramos
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30397961 50 mg 50 miligramos
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Product Code. 30397961 Supplier Toronto Research Chemicals Supplier No. TRCI12498050MG

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Specifications

Nombre del producto químico o material 1,3-bis((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
CAS 1987905-93-0
Fórmula molecular C47H46N12O3
Cantidad 50 mg
Sinónimo Ibrutinib Addition Adduct with (R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl), 1,3-bis((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
Fórmula InChI InChI=1S/C47H46N12O3/c48-44-40-42(31-15-19-37(20-16-31)61-35-11-3-1-4-12-35)54-58(46(40)52-29-50-44)33-9-7-24-56(27-33)26-23-39(60)57-25-8-10-34(28-57)59-47-41(45(49)51-30-53-47)43(55-59)32-17-21-38(22-18-32)62-36-13-5-2-6-14-36/h1-6,11-22,29-30,33-34H,7-10,23-28H2,(H2,48,50,52)(H2,49,51,53)/t33-,34-/m1/s1
SMILES Nc1ncnc2c1c(nn2[C@@H]3CCCN(CCC(=O)N4CCC[C@H](C4)n5nc(c6ccc(Oc7ccccc7)cc6)c8c(N)ncnc58)C3)c9ccc(Oc%10ccccc%10)cc9
Nombre IUPAC 1,3-bis[(3R)-3-[4-amino-3-(4-fenoxifenil)pirazolo[3,4-d]pirimidin-1-il]piperidin-1-il]propan-1-ona
Peso molecular (g/mol) 826.95
Formula Weight (peso de la fórmula) 826.3816
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