Raltegravir potassiumProduct ingredient for Raltegravir
- Name
- Raltegravir potassium
- Drug Entry
- Raltegravir
Raltegravir is an antiretroviral drug produced by Merck & Co., used to treat HIV infection. It received approval by the U.S. Food and Drug Administration (FDA) on 12 October 2007, the first of a new class of HIV drugs, the integrase inhibitors, to receive such approval.
- Accession Number
- DBSALT000924
- Structure
Structure for Raltegravir potassium (DBSALT000924)
- Synonyms
- Not Available
- External IDs
- MK-0518 / MK0518
- UNII
- 43Y000U234
- CAS Number
- 871038-72-1
- Weight
- Average: 482.514
Monoisotopic: 482.11162742 - Chemical Formula
- C20H20FKN6O5
- InChI Key
- IFUKBHBISRAZTF-UHFFFAOYSA-M
- InChI
- InChI=1S/C20H21FN6O5.K/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);/q;+1/p-1
- IUPAC Name
- potassium 4-{[(4-fluorophenyl)methyl]carbamoyl}-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidin-5-olate
- SMILES
- [K+].CN1C(=O)C([O-])=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1
- External Links
- PubChem Compound
- 23668479
- ChemSpider
- 23344049
- BindingDB
- 50480673
- ChEBI
- 570800
- ChEMBL
- CHEMBL518520
- Wikipedia
- Raltegravir
- Predicted Properties
Property Value Source Water Solubility 0.149 mg/mL ALOGPS logP 1.59 ALOGPS logP -0.39 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 7.02 Chemaxon pKa (Strongest Basic) -1.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 152.85 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 123.14 m3·mol-1 Chemaxon Polarizability 41.9 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon