raltegravir
A pyrimidone that is pyrimidin-4(3H)-one in which the hydrogens at positions 2, 3, 5 and 6 are replaced by 2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl, methyl, hydroxy, and N-[(4-fluorophenyl)methyl]aminoacyl groups, respectively. It is an antiretroviral drug used for treatment of HIV infection.
Exact Synonyms
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}propan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Related Synonyms
MK 0518
MK-0518
MK0518
raltegravir
raltegravirum
class Information
charge
0
formula
C20H21FN6O5
has_dbxref
- CAS:518048-05-0
- Chemspider:16445111
- DrugBank:DB06817
- Drug_Central:2352
- KEGG:D06676
- LINCS:LSM-5233
- PDBeChem:RLT
- PMCID:PMC6809206
- PMID:17133211
- PMID:17428043
- PMID:17569171
- PMID:18095922
- PMID:18174972
- PMID:20118915
- PMID:21030679
- PMID:24097843
- PMID:24145879
- PMID:24277175
- PMID:24397848
- PMID:24872134
- PMID:24962031
- PMID:25017682
- PMID:25114168
- PMID:25162819
- PMID:25162818
- PMID:31525573
- PMID:32448902
- PMID:32661003
- PMID:32675580
- PMID:32728708
- PMID:32925360
- PMID:33099638
- PMID:33136758
- PMID:33163587
- PMID:33369217
- PMID:33493297
- PMID:33527213
- PMID:33667407
- PMID:33670655
- PMID:33779719
- PMID:33831906
- PMID:33993302
- Reaxys:10696228
- Wikipedia:Raltegravir
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
inchikey
CZFFBEXEKNGXKS-UHFFFAOYSA-N
in_subset
mass
444.423
monoisotopicmass
444.15575
smiles
CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1