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rac Efavirenz-[d5]

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General Information
Catalog: BLP-011547
Molecular Formula: C14H4D5ClF3NO2
Molecular Weight: 320.71

Chemical Structure

Description	Rac Efavirenz-[d5] is the labelled analogue of Rac Efavirenz, which is a mixture of both enantiomers for Efavirenz. Efavirenz is a non-nucleoside HIV-1 reverse transcriptase inhibitor.
Synonyms	rac Efavirenz-d5; 6-chloro-4-((cyclopropyl-d5)ethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one; (±)-Efavirenz-d5
IUPAC Name	6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CAS	177530-93-7 (unlabelled) 1132642-95-5 (S-isomer)
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)/i1D2,2D2,8D
InChI Key	XPOQHMRABVBWPR-YAJIPLGWSA-N
Purity	≥99% atom D
Solubility	Soluble in Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at -20°C