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Ibrutinib impurity 6
[CAS# 1987905-93-0]

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Identification
NameIbrutinib impurity 6
Synonyms1,3-bis[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Molecular StructureCAS # 1987905-93-0, Ibrutinib impurity 6
Molecular FormulaC47H46N12O3
Molecular Weight826.95
CAS Registry Number1987905-93-0
SMILESC1C[C@H](CN(C1)CCC(=O)N2CCC[C@H](C2)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N)N7C8=NC=NC(=C8C(=N7)C9=CC=C(C=C9)OC1=CC=CC=C1)N
Properties
Density1.4±0.1 g/cm3, Calc.*
Index of Refraction1.752, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol symbol   GHS07;GHS08 Warning  Details
Risk StatementsH302-H315-H319-H335  Details
Safety StatementsP261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501  Details
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