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* Service & Products of Interested: [Isotope Labeled Impurities] rac 8-Hydroxy Efavirenz-[d4] (1246812-30-5)
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rac 8-Hydroxy Efavirenz-[d4]

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General Information
Catalog: BLP-013757
CAS: 1246812-30-5
Molecular Formula: C14H5D4ClF3NO3
Molecular Weight: 335.70

Chemical Structure

Description	rac 8-Hydroxy Efavirenz-[d4] is the labelled analogue of rac 8-Hydroxy Efavirenz, which is a metabolite of Efavirenz, a nonnucleoside HIV-1 reverse transcriptase inhibitor.
Synonyms	rac 8-Hydroxy Efavirenz-d4; 6-Chloro-4-(cyclopropyl-d4-ethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; 8-Hydroxyefavirenz-d4
IUPAC Name	6-chloro-8-hydroxy-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CAS	205754-32-1 (unlabelled)
Canonical SMILES	C1CC1C#CC2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F
InChI	InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/i1D2,2D2
InChI Key	OOVOMPCQLMFEDT-LNLMKGTHSA-N
Melting Point	148-151°C
Purity	95%; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C