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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > maleate salt > afatinib dimaleate

Preferred term

afatinib dimaleate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H33ClFN5O11

has_part

has_role

inchi

  • InChI=1S/C24H25ClFN5O3.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1

inchikey

  • USNRYVNRPYXCSP-JUGPPOIOSA-N

mass

  • 718.08300

monoisotopicmass

  • 717.18491

smiles

  • OC(=O)/C=C/C(O)=O.OC(=O)/C=C/C(O)=O.CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1

subset

  • 3_STAR

synonym EXACT

  • (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide di[(2Z)-but-2-enedioate]

synonym RELATED

  • Afatinib maleate
  • BIBW 2992MA2
  • Gilotrif

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:76003

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