rac Efavirenz-[d4]

General Information
Catalog: BLP-004011
CAS: 1246812-58-7
Molecular Formula: C14H5D4ClF3NO2
Molecular Weight: 319.70
Related CAS: 154598-52-4 (unlabelled)
Description Rac Efavirenz-[d4] is an isotope compound of rac Efavirenz. Efavirenz is an NNRTI that prevents RNA plus-strand initiation with an IC50 value of 17 nM. Efavirenz also inhibits the late stages of HIV-1 replication by interfering with HIV-1 Gag-Pol polyprotein processing. It has been used in combination therapy with drugs directed at the treatment of opportunistic infections such as HIV and cancer.
Synonyms 6-Chloro-4-ro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; DMP 266-d4; L 743726-d4; Stocrin-d4; Sustiva-d4
IUPAC Name 6-chloro-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
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
InChI Key XPOQHMRABVBWPR-LNLMKGTHSA-N
Boiling Point 340.6±42.0°C at 760 mmHg
Melting Point 174-176°C
Purity >98%
Density 1.5±0.1 g/cm3
Solubility Soluble in Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
Appearance White to Off-white Solid
Storage Store at-20°C

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