API0232103

Ibuprofen Lysine

Ibrutinib is an anticancer drug (BTK inhibitor).

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Molecular Weight (g/mol)

352.5
Molecular Formula

C19H32N2O4
InChI

InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
InChIKey

IHHXIUAEPKVVII-ZSCHJXSPSA-N
SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(CCN)C[C@@H](C(=O)O)N
IUPAC Name

(2S)-2,6-diaminohexanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
Exact Mass (Da)

352.23620751
Monoisotopic Mass (Da)

352.23620751

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