Products 518048-05-0

CAS 518048-05-0 appears in our catalog under these names: Raltegravir, Raltegravir, >95% (HPLC), Raltegravir/ 99.05% (existing batch purity), Raltegravir (MK–0518), Raltegravir - Bio-X â„¢. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 10mg, 50mg, 5mg, 2mg, 25mg, 100mg, 1mg.

Structural formula: {0} (CAS {1})

Raltegravir is 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. It has a role as an antiviral drug and a HIV-1 integrase inhibitor. It is a secondary carboxamide, a dicarboxylic acid amide, a pyrimidone, a hydroxypyrimidine, a 1,2,4-oxadiazole and a member of monofluorobenzenes.

Source: ChEBI

Identity
Molecular formulaC20H21FN6O5
Molecular weight444.4 g/mol
IUPAC nameN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
InChIKeyCZFFBEXEKNGXKS-UHFFFAOYSA-N
SMILESCC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F

Computed by PubChem (NCBI)