Abivertinib Maleate
(Z)-but-2-enedioic acid;N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;dihydrate
Molecular Identity
Abivertinib Maleate
(Z)-but-2-enedioic acid;N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;dihydrate
PubChem CID: 137321960
2D Structure
Properties
C30H34FN7O8
Molecular Formula
639.60
Molecular Weight
g/mol
639.2453
Exact Mass
Da
175
TPSA
May have limited oral absorption
7
H-Bond Donors
14
H-Bond Acceptors
871
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F.C(=CC(=O)O)C(=O)O.O.OIsomeric SMILES
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F.C(=C\C(=O)O)\C(=O)O.O.OSynonyms(20)
Abivertinib maleateEX-ACEA0010MAAbivertinib maleate dihydrateEX-ACEA-0010MAA610MAAC0010MAACEA100610MAACEA-100610MAAC-0010MAA-610MAAc0010 maleate dihydrateSTI-5656Y50131AMFJ1822357-78-72-Propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-, (2Z)-2-butenedioate, hydrate (1:1:2)
Data from PubChem (NCBI)
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Trials and conditions connected to Abivertinib Maleate
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