NERATINIB

CAS No.
698387-09-6
CCD No.
CCD00783554
Formula
C30 H29 Cl N6 O3
MolWeight
557.051

Basic Information

Product Name: NERATINIB
CAS: 698387-09-6
English Synonyms: HKI-272 ; (2E)-N-[4-[[3-CHLORO-4-[(PYRIDIN-2-YL)METHOXY]PHENYL]AMINO]-3-CYANO-7-ETHOXYQUINOLIN-6-YL]-4-(DIMETHYLAMINO)BUT-2-ENAMIDE ; (E)-N-(4-((3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)PHENYL)AMINO)-3-CYANO-7-ETHOXYQUINOLIN-6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE ; 4-DIMETHYLAMINO-BUT-2-ENOIC ACID [4-[3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)-PHENYLAMINO]-3-CYANO-7-ETHOXY-QUINOLIN-6-YL]-AMIDE ; (2E)-N-[4-[[3-CHLORO-4-(2-PYRIDINYLMETHOXY)PHENYL]AMINO]-3-CYANO-7-ETHOXY-6-QUINOLINYL]-4-(DIMETHYLAMINO)-2-BUTENAMIDE ; (E)-N-[4-[3-CHLORO-4-[(2-PYRIDINYL)METHOXY]ANILINO]-3-CYANO-7-ETHOXY-6-QUINOLINYL]-4-(DIMETHYLAMINO)-2-BUTENAMIDE ; NERATINIB (HKI-272) ; NERATINIB ; (E)-4-DIMETHYLAMINO-BUT-2-ENOIC ACID [4-[3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)-PHENYLAMINO]-3-CYANO-7-ETHOXY-QUINOLIN-6-YL]-AMIDE
MDL Number.: MFCD09752958
H bond acceptor: 9
H bond donor: 2
Smile: CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4
InChi: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
InChiKey: InChIKey=JWNPDZNEKVCWMY-VQHVLOKHSA-N

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