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rac-8,14-Bis(tert-butyldimethylsilyloxy) Efavirenz-[d4]

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General Information
Catalog: BLP-006241
CAS: 1329840-70-1
Molecular Formula: C26H33D4ClF3NO4Si2
Molecular Weight: 580.22

Chemical Structure

Description	rac-8,14-Bis(tert-butyldimethylsilyloxy) Efavirenz-[d4] is the labelled analogue of rac-8,14-Bis(tert-butyldimethylsilyloxy) Efavirenz, which is a metabolite of Efavirenz.
Synonyms	rac-8,14-Bis(tert-butyldimethylsilyloxy) Efavirenz-d4
IUPAC Name	8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2,3,3-tetradeuteriocyclopropyl]ethynyl]-6-chloro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Isomeric SMILES	[2H]C1(C(C1(C#CC2(C3=C(C(=CC(=C3)Cl)O[Si](C)(C)C(C)(C)C)NC(=O)O2)C(F)(F)F)O[Si](C)(C)C(C)(C)C)([2H])[2H])[2H]
Canonical SMILES	CC(C)(C)[Si](C)(C)OC1=CC(=CC2=C1NC(=O)OC2(C#CC3(CC3)O[Si](C)(C)C(C)(C)C)C(F)(F)F)Cl
InChI	InChI=1S/C26H37ClF3NO4Si2/c1-22(2,3)36(7,8)34-19-16-17(27)15-18-20(19)31-21(32)33-25(18,26(28,29)30)14-13-24(11-12-24)35-37(9,10)23(4,5)6/h15-16H,11-12H2,1-10H3,(H,31,32)/i11D2,12D2
InChI Key	CZLOCSCGTRCIBH-AREBVXNXSA-N
Purity	>98%
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate