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Merck
CN

SML2597

Etravirine

≥98% (HPLC)

Synonym(s):

4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile, 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]benzonitrile, 4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile, TMC125

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About This Item

Empirical Formula (Hill Notation):
C20H15BrN6O
CAS Number:
269055-15-4
Molecular Weight:
435.28
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD09837879

Key Documents

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SMILES string

Brc1c(nc(nc1Oc3c(cc(cc3C)C#N)C)Nc2ccc(cc2)C#N)N

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)

InChI key

PYGWGZALEOIKDF-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

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Related Categories

Biochem/physiol Actions

Etravirine is a second-generation Nonnucleoside reverse transcriptase inhibitor (NNRTI) anti-retroviral. It is active against HIV with mutations that confer resistance to the two most commonly prescribed first-generation NNRTIs, mutation K103N for efavirenz and Y181C for nevirapine.

pictograms

Environment
GHS09

signalword

Warning

hcodes

H410

pcodes

P273

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000382823
0000382823
0000174344
0000174343
0000174344

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