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6-Desamino 6-Chloro Etravirine-[13C3]

General Information
Catalog: BLP-003098
CAS: 1246818-40-5
Molecular Formula: C17[13C]3H13BrClN5O
Molecular Weight: 457.69
Chemical Structure
6-Desamino 6-Chloro Etravirine-[13C3]
Description Labelled 6-Desamino 6-Chloro Etravirine.
Synonyms 4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-benzonitrile-13C3
IUPAC Name 4-[5-bromo-6-chloro-2-(4-cyanoanilino)(4,5,6-13C3)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
Related CAS 269055-76-7 (unlabelled)
Canonical SMILES CC1=CC(=CC(=C1OC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)Cl)Br)C)C#N
InChI InChI=1S/C20H13BrClN5O/c1-11-7-14(10-24)8-12(2)17(11)28-19-16(21)18(22)26-20(27-19)25-15-5-3-13(9-23)4-6-15/h3-8H,1-2H3,(H,25,26,27)/i16+1,18+1,19+1
InChI Key ODWHQRYHASBLKO-WTZVUXPESA-N
Solubility Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance White Solid

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