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Substance Name: Sapitinib difumurate
RN: 1196531-39-1
UNII: RD1QAE9R4N
InChIKey: LSXKPHWAKWZIKV-LVEZLNDCSA-N

Molecular Formula

  • C23-H25-Cl-F-N5-O3.2C4-H4-O4

Molecular Weight

  • 706.0767
 
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Names and Synonyms

Name of Substance

  • Sapitinib difumurate

Synonyms

  • 1-Piperidineacetamide, 4-((4-((3-chloro-2-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)oxy)-N-methyl-, (2E)-2-butenedioate (1:2)
  • AZD-8931 difumaricacid
  • AZD8931 difumaricacid
  • Sapitinib difumurate
  • UNII-RD1QAE9R4N

Registry Numbers

CAS Registry Number

  • 1196531-39-1

FDA UNII

  • RD1QAE9R4N

System Generated Number

  • 1196531391

Structure Descriptors

InChI

InChI=1S/C23H25ClFN5O3.2C4H4O4/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25;2*5-3(6)1-2-4(7)8/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

LSXKPHWAKWZIKV-LVEZLNDCSA-N

Smiles

CNC(=O)CN1CCC(CC1)Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC.OC(=O)\C=C\C(=O)O.OC(=O)\C=C\C(=O)O