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Efavirenz-[d5]

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Category Human immunodeficiency Virus (HIV)
CAS 1132642-95-5
Description Efavirenz-[d5] 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 D5; Sustiva-d5; Stocrin-d5; DMP-266-d5; EFV-d5; (4S)-6-Chloro-4-(Cyclopropylethynyl)-1,4-Dihydro-4-(Trifluoromethyl)-2H-3,1-Benzoxazin-2-One-d5
IUPAC Name (4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Molecular Weight 320.71
Molecular Formula C14H4D5ClF3NO2
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)/t13-/m0/s1/i1D2,2D2,8D
InChIKey XPOQHMRABVBWPR-XWJABCKYSA-N
Boiling Point 340.6±42.0°C at 760 mmHg
Melting Point 182-185°C
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 320.0587744
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.
PSA 41.82000
Target Reverse Transcriptase; HIV; Autophagy
XLogP3-AA 4

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