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Substance Name: Rac-Efavirenz
RN: 177530-93-7
InChIKey: XPOQHMRABVBWPR-UHFFFAOYSA-N

Note

  • Non stereospecific structure of Efavirenz

Molecular Formula

  • C14-H9-Cl-F3-N-O2

Molecular Weight

  • 315.6771
 
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Names and Synonyms

Name of Substance

  • Rac-Efavirenz

Synonyms

  • 6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-3-one
  • L 741211
  • L-741211
  • L741211
  • Racemic-Efavirenz

Systematic Name

  • 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 177530-93-7

Other Registry Number

  • 154635-17-3

System Generated Number

  • 0177530937

Structure Descriptors

InChI

1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)

InChIKey

XPOQHMRABVBWPR-UHFFFAOYSA-N

Smiles

c1cc2c(cc1Cl)C(OC(=O)N2)(C#CC3CC3)C(F)(F)F