Elvitegravir

Systematic / IUPAC Name: 6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

ID: Reference7569

Other Names: Elvitegravirum;
(S)-6-(3-Chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-isopropyl-2-hydroxyethyl]-7-methoxy-4-oxo-;
6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
6-[(3-Chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid ; more

Formula: C23H23ClFNO5

Class: Therapeutics/Prescription Drugs

Spectral Data

Elvitegravir mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 109
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2018 3:21:10 PM
View Mass Spec Data > >

Identificators

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
InChI Key JUZYLCPPVHEVSV-LJQANCHMSA-N
Canonical SMILES CC(C)C(CO)N1C=C(C(=O)C2=CC(=C(C=C21)OC)CC3=C(C(=CC=C3)Cl)F)C(=O)O
CAS
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Other Names Elvitegravirum;
(S)-6-(3-Chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-isopropyl-2-hydroxyethyl]-7-methoxy-4-oxo-;
6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
6-[(3-Chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid;
6-[(3-Chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid;
ELV;
EVG

In Other Databases

Wikipedia Elvitegravir
ChEMBL CHEMBL204656
ChemSpider 4441060
PubChem 5277135
DrugBank DB09101
ChEBI CHEBI:72289