Tafenoquine-d3 Succinate

Catalog:	BB076690
Product Name:	Tafenoquine-d3 Succinate
Synonyms:	N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolinyl]-1,4-pentanediamine-d3;Tafenoquine-d3; WR 238605-d3

Technical Data

IUPAC Name:	butanedioic acid4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
Description:	Tafenoquine-d3 Succinate is the labelled analog of Tatenoquine (T004760), a new 8-aminoquinoline with an improved therapeutic index and safety profile as compared to primaquine (P733500).Tafenoquine has the potential to become a widely used drug in the prevention and treatment of malaria infection and could replace some currently used drugs as resistant strains of Plasmodium species increase.
Molecular Weight:	584.6
Molecular Formula:	C28H31D3F3N3O7
Canonical SMILES:	CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC.C(CC(=O)O)C(=O)O
InChI:	InChI=1S/C24H28F3N3O3.C4H6O4/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)275-3(6)1-2-4(7)8/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H31-2H2,(H,5,6)(H,7,8)/i4D3
InChI Key:	CQBKFGJRAOXYIP-NXIGQQGZSA-N
References:	McIntyre, J. A., et al. Drugs. Future., 28, 859 (2003); LaMontagne, M.P., et al. J. Medn. Chem., 32, 1728 (1989).

Complexity:	690
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	584.25371516
Formal Charge:	0
Heavy Atom Count:	41
Hydrogen Bond Acceptor Count:	13
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	3
Monoisotopic Mass:	584.25371516
Rotatable Bond Count:	12
Topological Polar Surface Area:	153Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0