CAS Number
Molecular Formula
C50H48N12O4
Product format
Neat
Molecular Weight
881.01
API Family
Synonyms
Ibrutinib Impurity N21; 2540665-98-1
Iupac Name
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3, 4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[4-imino-3-(4-phenoxyphenyl)-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3 and 4-d]pyrimidin-2-yl]propan-1-one
InChI
InChI=1S/C50H48N12O4/c1-2-41(63)58-26-10-12-36(30-58)62-50-44(48(52)54-32-56-50)46(34-19-23-40(24-20-34)66-38-15-7-4-8-16-38)60(62)28-25-42(64)59-27-9-11-35(29-59)61-49-43(47(51)53-31-55-49)45(57-61)33-17-21-39(22-18-33)65-37-13-5-3-6-14-37/h2-8,13-24,31-32,35-36,52H,1,9-12,25-30H2,(H2,51,53,55)/t35-,36+/m1/s1
