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8-Hydroxy Efavirenz-[d4]

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8-Hydroxy Efavirenz-[d4]

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General Information
Catalog: BLP-003150
CAS: 1217771-47-5
Molecular Formula: C14H5D4ClF3NO3
Molecular Weight: 335.69

Chemical Structure

Description	8-Hydroxy Efavirenz-[d4] is the labelled analogue of 8-Hydroxy Efavirenz, which is a metabolite of Efavirenz, a nonnucleoside HIV-1 reverse transcriptase inhibitor.
Synonyms	8-Hydroxyefavirenz-d4; (4S)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one-d4; (4S)-6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one-d4; 8-Hydroxy Efavirenz-d4
IUPAC Name	(4S)-6-chloro-8-hydroxy-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CAS	205754-33-2 (unlabelled)
Isomeric SMILES	[2H]C1(C(C1([2H])[2H])C#C[C@]2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F)[2H]
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)/t13-/m0/s1/i1D2,2D2
InChI Key	OOVOMPCQLMFEDT-VNYCDKERSA-N
Melting Point	144-154°C
Solubility	Soluble in Ethyl Acetate, DMSO, Methanol
Appearance	Off-white Solid
Storage	Store at -20°C

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