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rac 7-Hydroxy Efavirenz-[d4] (Major)

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General Information
Catalog: BLP-003133
CAS: 1189857-89-3
Molecular Formula: C14H5D4ClF3NO3
Molecular Weight: 335.70

Chemical Structure

Description	Rac 7-Hydroxy Efavirenz-[d4] (Major) is a labelled compound of rac 7-Hydroxy Efavirenz which is a metabolite of Efavirenz.
Synonyms	6-Chloro-4-(cyclopropyl-d4-ethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
IUPAC Name	6-chloro-7-hydroxy-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CAS	205754-50-3 (unlabelled)
Canonical SMILES	C1CC1C#CC2(C3=CC(=C(C=C3NC(=O)O2)O)Cl)C(F)(F)F
InChI	InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/i1D2,2D2
InChI Key	GZMDZAYFVCXHFM-LNLMKGTHSA-N
Melting Point	>194°C (dec.)
Purity	> 98%
Solubility	Soluble in DMSO, Ethyl Actetae, Methanol
Appearance	Off-white Solid
Storage	-20°C