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Sulfadoxine-[d4]

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Category Human immunodeficiency Virus (HIV)
CAS 1330266-05-1
Description Sulfadoxine-[d4] is the labelled analogue of Sulfadoxine. Sulfadoxine is an antibacterial. It competitively inhibits dihydropteroate synthase, interfering with folate synthesis.
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Product Information

Synonyms Sulfadoxine D4; 4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide-d4; N1-(5,6-Dimethoxy-4-pyrimidinyl)sulfanilamide-d4
IUPAC Name 4-amino-2,3,5,6-tetradeuterio-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Molecular Weight 314.36
Molecular Formula C12H10D4N4O4S
Canonical SMILES COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N
InChI InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)/i3D,4D,5D,6D
InChIKey PJSFRIWCGOHTNF-LNFUJOGGSA-N
Boiling Point 522.8±60.0 °C at 760 mmHg
Melting Point 187-190°C
Purity 95% by HPLC; 95% atom D
Density 1.4±0.1 g/cm3
Solubility Soluble in Acetone, DMSO, Methanol
Appearance Pale Yellow Solid
Storage Store at -20°C
Complexity 420
Exact Mass 314.09868310
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 Parasite; HIV; Antibiotic; Endogenous Metabolite
XLogP3-AA 0.7

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