Elvitegravir-[d5]

General Information
Catalog: BLP-010797
CAS: 1131640-69-1
Molecular Formula: C23H18D5ClFNO5
Molecular Weight: 452.92
Related CAS: 697761-98-1 (unlabelled)
Chemical Structure
Description Elvitegravir-[d5] is the labelled analogue of Elvitegravir, which is a novel inhibitor of human immunodeficiency virus type 1 integrase.
Synonyms Elvitegravir D5; (S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl-1,1-d2)-7-(methoxy-d3)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 6-[(3-Chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl-d2)-2-methylpropyl]-7-(methoxy-d3)-4-oxo-3-quinolinecarboxylic Acid
IUPAC Name 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1,1-dideuterio-1-hydroxy-3-methylbutan-2-yl]-4-oxo-7-(trideuteriomethoxy)quinoline-3-carboxylic acid
Canonical SMILES CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1/i3D3,11D2
InChI Key JUZYLCPPVHEVSV-SCTDAPLVSA-N
Purity 95%
Solubility Slightly soluble in DMSO, Methanol
Appearance Off-White to Pale Yellow Solid
Storage Store at 2-8°C

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