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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.

8-Hydroxy Efavirenz-[d4]

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General Information
Catalog: BLP-003150
CAS: 1217771-47-5
Molecular Formula: C14H5D4ClF3NO3
Molecular Weight: 335.69
Chemical Structure
8-Hydroxy Efavirenz-[d4]
Description 8-Hydroxy Efavirenz-[d4] is the labelled analogue of 8-Hydroxy Efavirenz, which is a metabolite of Efavirenz, a nonnucleoside HIV-1 reverse transcriptase inhibitor.
Synonyms 8-Hydroxyefavirenz-d4; (4S)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one-d4; (4S)-6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one-d4; 8-Hydroxy Efavirenz-d4
IUPAC Name (4S)-6-chloro-8-hydroxy-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CAS 205754-33-2 (unlabelled)
Isomeric SMILES [2H]C1(C(C1([2H])[2H])C#C[C@]2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F)[2H]
Canonical SMILES C1CC1C#CC2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F
InChI InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/t13-/m0/s1/i1D2,2D2
InChI Key OOVOMPCQLMFEDT-VNYCDKERSA-N
Melting Point 144-154°C
Solubility Soluble in Ethyl Acetate, DMSO, Methanol
Appearance Off-white Solid
Storage Store at -20°C
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