Etravirine-[d8]

General Information
Catalog: BLP-005418
CAS: 1142095-74-6
Molecular Formula: C20H7D8BrN6O
Molecular Weight: 443.33
Related CAS: 269055-15-4 (unlabelled)
Description Etravirine-[d8] is the labelled analogue of Etravirine. Etravirine is a drug used for the treatment of HIV. Etravirine is a non-nucleoside reverse transcriptase inhibitor.
Synonyms Etravirine D8
IUPAC Name 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-2,6-dideuterio-3,5-bis(trideuteriomethyl)benzonitrile
Canonical SMILES CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
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)/i1D3,2D3,7D,8D
InChI Key PYGWGZALEOIKDF-SKJDFIQESA-N
Melting Point >240°C (dec.)
Purity 98% by CP; 92% atom D
Solubility Soluble in Acetone, DMSO, Chloroform, Methanol
Appearance White to Off-white Solid
Storage Store at -20°C

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