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Efavirenz-[d5]

General Information
Catalog: BLP-005278
CAS: 1132642-95-5
Molecular Formula: C14H4D5ClF3NO2
Molecular Weight: 320.71
Chemical Structure
Efavirenz-[d5]
Description Efavirenz-[d5] is the labelled analogue of Efavirenz. Efavirenz is an antiretroviral medication used to treat and prevent HIV/AIDS.
Synonyms Efavirenz D5; Sustiva-d5; Stocrin-d5; DMP-266-d5; EFV-d5; (4S)-6-Chloro-4-(Cyclopropylethynyl)-1,4-Dihydro-4-(Trifluoromethyl)-2H-3,1-Benzoxazin-2-One-d5
IUPAC Name (4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CAS 154598-52-4 (unlabelled)
Isomeric SMILES [2H]C1(C(C1([2H])C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)([2H])[2H])[2H]
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)/t13-/m0/s1/i1D2,2D2,8D
InChI Key XPOQHMRABVBWPR-XWJABCKYSA-N
Boiling Point 340.6±42.0°C at 760 mmHg
Melting Point 182-185°C
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

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