Mangostin-[d3]

Category	Virus Protease
CAS	1185047-73-7
Description	Mangostin-[d3] is the labelled analogue of Mangostin, which is an anti-inflammatory agent.

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Synonyms	Mangostin-d3; 1,3,6-Trihydroxy-7-(methoxy-d3)-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one; 1,3,6-Trihydroxy-7-(methoxy-d3)-2,8-bis(3,3-dimethylallyl)xanthone; α-Mangosten-d3; α-Mangostin-d3; NSC 139154-d3; NSC 27593-d3; NSC 30552-d3
IUPAC Name	1,3,6-trihydroxy-2,8-bis(3-methylbut-2-enyl)-7-(trideuteriomethoxy)xanthen-9-one
Molecular Weight	413.48
Molecular Formula	C24H23D3O6
Canonical SMILES	CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C
InChI	InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3/i5D3
InChIKey	GNRIZKKCNOBBMO-VPYROQPTSA-N
Melting Point	181.6-182.6°C
Purity	≥98% (HPLC)
Solubility	Soluble in Acetone, Alcohol, Chloroform, Ether, Ethyl Acetate
Appearance	Yellow Crystalline Solid
Storage	Store at 2-8°C
Complexity	677
Exact Mass	413.19176878
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target	Reactive Oxygen Species; Apoptosis; Bacterial; Fungal; Virus Protease
XLogP3-AA	6.3