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Substance Name: Afatinib dimaleate [USAN]
RN: 850140-73-7
UNII: V1T5K7RZ0B
InChIKey: USNRYVNRPYXCSP-JUGPPOIOSA-N

Note

  • A radiation sensitizing agent and an ErbB2 tyrosine kinase inhibitor.

    NCI: An orally bioavailable dual receptor tyrosine kinase (RTK) inhibitor with potential antineoplastic activity. Afatinib irreversibly binds to and inhibits human epidermal growth factor receptors 1 and 2 (EGFR-1; HER2), which may result in the inhibition of tumor growth and angiogenesis. EGFR/HER2 are RTKs that belong to the EGFR superfamily; both play major roles in tumor cell proliferation and tumor vascularization and are overexpressed in many cancer cell types. (NCI Thesaurus)

Molecular Formula

  • C24-H25-Cl-F-N5-O3.2(C4-H4-O4)

Molecular Weight

  • 718.0877
 

Classification Codes

  • Antineoplastic
  • Antineoplastic Agents
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Names and Synonyms

Name of Substance

  • Afatinib dimaleate [USAN]

Synonyms

  • (2E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydrofuran-3-yl)oxy)quinazolin- 6-yl)-4-(dimethylamino)but-2-enamide bis(hydrogen (2Z)-but-2-enedioate)
  • Afatinib dimaleate
  • BIBW 2992MA2
  • BIBW2992 MA2
  • Gilotrif
  • Giotrif
  • Tomtovok
  • Tovok
  • UNII-V1T5K7RZ0B

Systematic Name

  • 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)- 6-quinazolinyl)-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 850140-73-7

FDA UNII

  • V1T5K7RZ0B

System Generated Number

  • 0850140737

Structure Descriptors

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

Smiles

CN(C/C=C/C(=O)Nc1c(cc2ncnc(c2c1)Nc3cc(c(cc3)F)Cl)O[C@@H]4COCC4)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O