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Cabotegravir-[13C,d5]

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General Information
Catalog: BLP-002125
Molecular Formula: C18[13C]H12D5F2N3O5
Molecular Weight: 411.38

Chemical Structure

Description	Cabotegravir-[13C,d5], is the labelled analogue of Cabotegravir. Cabotegravir (GSK744, GSK1265744) is a long-acting HIV integrase inhibitor against a broad range of HIV subtypes, and inhibits the HIV-1 integrase catalyzed strand transfer reaction with IC50 of 3.0 nM. Phase 2.
Synonyms	Cabotegravir 13CD5
IUPAC Name	(3R,6S)-N-[dideuterio-(2,3,5-trideuterio-4,6-difluorophenyl)(1-13C)methyl]-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
Related CAS	1051375-10-0 (unlabelled)
Canonical SMILES	CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
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/i2D,3D,4D,5+1D2
InChI Key	WCWSTNLSLKSJPK-YJSYBYGJSA-N