AFATINIB ,850140-72-6 _Chemical Cloud Database

AFATINIB

Basic Information
Product Name：	AFATINIB
CAS：	850140-72-6 ;439081-18-2
English Synonyms：	BIBW 2992 ; (S,E)-N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-((TETRAHYDROFURAN-3-YL)OXY)QUINAZOLIN-6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE ; AFATINIB ; (S)-N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-((TETRAHYDROFURAN-3-YL)OXY)QUINAZOLIN-6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE ; TOVOK ; AFATINIB (BIBW2992) ; 2-BUTENAMIDE, N-[4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-[[(3S)-TETRAHYDRO-3-FURANYL]OXY]-6-QUINAZOLINYL]-4-(DIMETHYLAMINO)- ; N-[4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-[[(3S)-TETRAHYDRO-3-FURANYL]OXY]-6-QUINAZOLINYL]-4-(DIMETHYL 2-BUTENAMIDE] ; N-[4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-[[(3S)-TETRAHYDRO-3-FURANYL]OXY]-6-QUINAZOLINYL]-4-(DIMETHYLAMINO)-2-BUTENAMIDE ; N-[4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-[[(3''S'')-TETRAHYDRO-3-FURANYL]OXY]-6-QUINAZOLINYL]-4(DIMETHYLAMINO)-2-BUTENAMIDE
MDL Number.：	MFCD12407405
H bond acceptor：	8
H bond donor：	2
Smile：	CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
InChi：	InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
InChiKey：	InChIKey=ULXXDDBFHOBEHA-CWDCEQMOSA-N

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