loading...| Preferred Name |
raltegravir |
|
| 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 MK 0518 MK-0518 raltegravirum MK0518 raltegravir |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82960 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:17133211 LINCS:LSM-5233 Drug_Central:2352 PMID:17428043 Reaxys:10696228 PMID:32675580 PMID:33527213 PMID:33670655 PMID:24097843 PMID:32448902 PMID:24397848 PMID:33163587 PMID:24277175 PMID:25017682 PMID:25114168 PMID:33099638 PMID:25162818 PMID:25162819 PMID:24872134 PMID:33993302 PMID:32661003 PMID:33779719 PDBeChem:RLT DrugBank:DB06817 PMID:33831906 PMID:24962031 CAS:518048-05-0 Wikipedia:Raltegravir PMID:32925360 PMID:33136758 PMID:21030679 PMID:18095922 PMID:18174972 PMID:24145879 PMID:20118915 KEGG:D06676 PMID:33369217 PMID:31525573 PMID:33667407 Chemspider:16445111 PMCID:PMC6809206 PMID:17569171 PMID:33493297 PMID:32728708 |
|
| definition |
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. |
|
| formula |
C20H21FN6O5 |
|
| has role | ||
| has_exact_synonym |
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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
MK 0518 MK-0518 raltegravirum MK0518 raltegravir |
|
| id |
CHEBI:82960 |
|
| in_subset | ||
| 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 |
|
| label |
raltegravir |
|
| mass |
444.423 |
|
| monoisotopicmass |
444.15575 |
|
| notation |
CHEBI:82960 |
|
| prefLabel |
raltegravir |
|
| 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 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_38340 http://purl.obolibrary.org/obo/CHEBI_46809 http://purl.obolibrary.org/obo/CHEBI_38337 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_38340 http://purl.obolibrary.org/obo/CHEBI_46809 http://purl.obolibrary.org/obo/CHEBI_38337 |