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Substance Name: Epertinib
RN: 908305-13-5
UNII: 60OIK33ZQR
InChIKey: IBCIAMOTBDGBJN-NRLRZRKLSA-N

Molecular Formula

  • C30-H27-Cl-F-N5-O3

Molecular Weight

  • 560.0263
 
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Names and Synonyms

Name of Substance

  • Epertinib

Synonyms

  • 2-Butyn-1-one, 1-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-, O-((3R)-3-morpholinylmethyl)oxime, (1Z)-
  • Epertinib
  • Epertinib [INN]
  • N-{3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}- 6-[(1Z)-N-{[(3R)-morpholin-3-yl]methoxy}but- 2-ynimidoyl]quinazolin-4-amine
  • UNII-60OIK33ZQR

Registry Numbers

CAS Registry Number

  • 908305-13-5

FDA UNII

  • 60OIK33ZQR

System Generated Number

  • 0908305135

Structure Descriptors

InChI

1S/C30H27ClFN5O3/c1-2-4-27(37-40-18-24-17-38-12-11-33-24)21-7-9-28-25(14-21)30(35-19-34-28)36-23-8-10-29(26(31)15-23)39-16-20-5-3-6-22(32)13-20/h3,5-10,13-15,19,24,33H,11-12,16-18H2,1H3,(H,34,35,36)/b37-27+/t24-/m1/s1

InChIKey

IBCIAMOTBDGBJN-NRLRZRKLSA-N

Smiles

CC#C\C(=N/OC[C@H]1COCCN1)\c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2