CAS Registry Number®
269055-15-4
CAS Name
Etravirine
Molecular Formula
C20H15BrN6O
Molecular Mass
435.28
Compound Properties
-
Melting Point (1)
255-257 °C
-
Density (2)
1.439 g/cm³
Source(s)
- (1) Joshi, Shashikant; Organic Process Research & Development, (2010), 14(3), 657-660, CAplus
- (2) Weuts, Ilse; Journal of Pharmaceutical Sciences, (2011), 100(1), 260-274, CAplus
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
- Intelence
Deleted or Replaced CAS Registry Numbers
394729-17-0
