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Efavirenz-[13C6]

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General Information
Catalog: BLP-005277
CAS: 1261394-62-0
Molecular Formula: C8[13C]6H9ClF3NO2
Molecular Weight: 321.63

Chemical Structure

Description	Efavirenz-[13C6], is the labelled analogue of Efavirenz. Efavirenz is an antiretroviral medication used to treat and prevent HIV/AIDS.
Synonyms	Efavirenz 13C6; AS-6038
IUPAC Name	6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one-4a,5,6,7,8,8a-13C6
Related CAS	154598-52-4 (unlabelled)
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)/i3+1,4+1,7+1,9+1,10+1,11+1
InChI Key	XPOQHMRABVBWPR-OMTIFVAJSA-N
Purity	>98%
Density	1.5±0.1 g/cm3
Solubility	Soluble in Chloroform, DMSO, Methanol
Appearance	Off-white to Pale Beige Solid
Storage	Store at -20°C