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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

rac Efavirenz-[d4]

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General Information
Catalog: BLP-004011
CAS: 1246812-58-7
Molecular Formula: C14H5D4ClF3NO2
Molecular Weight: 319.70
Chemical Structure
rac Efavirenz-[d4]
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
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)/i1D2,2D2
InChI Key XPOQHMRABVBWPR-LNLMKGTHSA-N
Boiling Point 340.6±42.0°C at 760 mmHg
Melting Point 174-176°C
Flash Point 159.8±27.9 °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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