Etravirine

CAS Registry Number®

269055-15-4

CAS Name

Etravirine

Molecular Formula

C20H15BrN6O

Molecular Mass

435.28

Cite this Page

Etravirine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=269055-15-4 (retrieved 2024-11-23) (CAS RN: 269055-15-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    255-257 °C

  • Density (2)

    1.439 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)

InChIKey

InChIKey=PYGWGZALEOIKDF-UHFFFAOYSA-N

SMILES

O(C1=NC(NC2=CC=C(C#N)C=C2)=NC(N)=C1Br)C3=C(C)C=C(C#N)C=C3C

Canonical SMILES

N#CC1=CC=C(C=C1)NC=2N=C(OC=3C(=CC(C#N)=CC3C)C)C(Br)=C(N2)N

Other Names for this Substance

  • Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
  • 4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
  • TMC 125
  • Etravirine
  • R 165335

View All

Deleted or Replaced CAS Registry Numbers

394729-17-0

CAS INSIGHTSTM
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