Cabotegravir

Description: Cabotegravir / GSK1265744 / GSK744 is potent HIV integrase inhibitor under development for the treatment of HIV infection.

• Catalog: OFC1051375100
• CAS: 1051375-10-0
• Category: Fluorinated APIs
• Synonyms: GSK1265744
• Purity: >98%

• IUPAC Name: (3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
• InChI: InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1
• InChI Key: WCWSTNLSLKSJPK-LKFCYVNXSA-N
• Isomeric SMILES: C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
• EC Number: 855-453-4

• Molecular Formula: C19H17F2N3O5
• Molecular Weight: 405.36
• Appearance: White to off-white solid powder

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 405.11362698 g/mol
• Monoisotopic Mass: 405.11362698 g/mol
• Topological Polar Surface Area: 99.2Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 814