loading...| Preferred Name |
elvitegravir |
|
| Synonyms |
elvitegravirum elvitegravir GS 9137 GS-9137 6-(3-chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
|
| Definitions |
A quinolinemonocarboxylic acid that is 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid substited at position 1 by a 1-hydroxy-3-methylbutan-2-yl group and at position 6 by a 3-chloro-2-fluorobenzyl group (the S-enantiomer). It is used in combination therapy for the treatment of HIV-1 infection. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_72289 |
|
| alternative term |
elvitegravirum elvitegravir GS 9137 GS-9137 6-(3-chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
KEGG:D06677 PMID:23114768 PMID:23123342 Patent:WO2009089263 PMID:22197635 Wikipedia:Elvitegravir PMID:22321026 PMID:22766666 PMID:23372110 PMID:22886031 LINCS:LSM-5647 PMID:23337366 PMID:23341902 Reaxys:10609264 PMID:23136357 CAS:697761-98-1 PMID:20040702 PMID:22571404 PMID:22015077 PMID:22992351 PMID:21505303 PMID:23253887 PMID:21044030 PMID:23028968 PMID:22347806 PMID:23231029 Patent:WO2010137032 Drug_Central:4300 PMID:22789987 Patent:WO2011004389 PMID:22256860 |
|
| definition |
A quinolinemonocarboxylic acid that is 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid substited at position 1 by a 1-hydroxy-3-methylbutan-2-yl group and at position 6 by a 3-chloro-2-fluorobenzyl group (the S-enantiomer). It is used in combination therapy for the treatment of HIV-1 infection. |
|
| formula |
C23H23ClFNO5 |
|
| has_exact_synonym |
6-(3-chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
elvitegravirum elvitegravir GS 9137 GS-9137 |
|
| id |
CHEBI:72289 |
|
| in_subset | ||
| 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 |
|
| inchikey |
JUZYLCPPVHEVSV-LJQANCHMSA-N |
|
| label |
elvitegravir |
|
| mass |
447.88400 |
|
| monoisotopicmass |
447.12488 |
|
| notation |
CHEBI:72289 |
|
| prefLabel |
elvitegravir |
|
| RO_0000087 | ||
| smiles |
COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_83403 |