Nevirapine-[d3]

Category	Human immunodeficiency Virus (HIV)
CAS	1051419-24-9
Description	Nevirapine-[d3] is the labelled analogue of Nevirapine. Nevirapine is an anti-HIV drug that reduces the amount of virus in the body.

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Synonyms	Nevirapine D3
IUPAC Name	2-cyclopropyl-7-(trideuteriomethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Molecular Weight	269.32
Molecular Formula	C15H11D3N4O
Canonical SMILES	CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
InChI	InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)/i1D3
InChIKey	NQDJXKOVJZTUJA-FIBGUPNXSA-N
Melting Point	234-236°C
Purity	95% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	White to Pale Beige Solid
Application	Labelled Nevirapine (N391275), a potent (IC50=84nM) and selective non-nucleoside inhibitor of HIV-1 reverse transcriptase. Antiviral.
Storage	Store at -20°C
Complexity	397
Exact Mass	269.13559132
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	61.61000
Target	HIV; Reverse Transcriptase
XLogP3-AA	2