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Efavirenz-[13C6]

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Category Human immunodeficiency Virus (HIV)
CAS 1261394-62-0
Description Efavirenz-[13C6], is the labelled analogue of Efavirenz. Efavirenz is an antiretroviral medication used to treat and prevent HIV/AIDS.
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Product Information

Synonyms Efavirenz 13C6; AS-6038
IUPAC Name 6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one-4a,5,6,7,8,8a-13C6
Molecular Weight 321.63
Molecular Formula C8[13C]6H9ClF3NO2
Canonical SMILES C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/i3+1,4+1,7+1,9+1,10+1,11+1
InChIKey XPOQHMRABVBWPR-OMTIFVAJSA-N
Purity >98%
Density 1.5±0.1 g/cm3
Solubility Soluble in Chloroform, DMSO, Methanol
Appearance Off-white to Pale Beige Solid
Storage Store at -20°C
Complexity 519
Exact Mass 325.0726267
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 Reverse Transcriptase; HIV; Autophagy; Endogenous Metabolite
XLogP3-AA 4

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