Neratinib Maleate
(Z)-but-2-enedioic acid;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular Identity
Neratinib Maleate
(Z)-but-2-enedioic acid;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
PubChem CID: 67307512
2D Structure
Properties
C34H33ClN6O7
Molecular Formula
673.10
Molecular Weight
g/mol
672.2099
Exact Mass
Da
187
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
1000
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C.C(=CC(=O)O)C(=O)OIsomeric SMILES
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/CN(C)C.C(=C\C(=O)O)\C(=O)OSynonyms(20)
Neratinib maleate915942-22-2hki-272 maleate9RM7XY23ZSNERATINIB MALEATE ANHYDROUSDTXSID8010278612-Butenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:1)2-Butenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:1)RefChem:56994DTXCID701513439NerlynxNeratinib maleate [MI]Neratinib (maleate)(E)-N-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide MaleateMFCD30607264
Data from PubChem (NCBI)
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