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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 8,14-Dihydroxy Efavirenz-[d4]

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General Information
Catalog: BLP-003992
CAS: 1189859-26-4
Molecular Formula: C14H5D4ClF3NO4
Molecular Weight: 351.7
Chemical Structure
rac 8,14-Dihydroxy Efavirenz-[d4]
Description rac 8,14-Dihydroxy Efavirenz-[d4], is the labelled analogue of rac 8,14-Dihydroxy Efavirenz, which is a metabolite of Efavirenz. Efavirenz is an antiretroviral medication used to treat and prevent HIV/AIDS.
Synonyms rac 8,14-Dihydroxy Efavirenz D4; 6-Chloro-8-hydroxy-4-{[1-hydroxy(2H4)cyclopropyl]ethynyl}-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
IUPAC Name 6-chloro-8-hydroxy-4-[2-(2,2,3,3-tetradeuterio-1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CAS 1189909-96-3 (unlabelled)
Isomeric SMILES [2H]C1(C(C1(C#CC2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F)O)([2H])[2H])[2H]
Canonical SMILES C1CC1(C#CC2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F)O
InChI InChI=1S/C14H9ClF3NO4/c15-7-5-8-10(9(20)6-7)19-11(21)23-13(8,14(16,17)18)4-3-12(22)1-2-12/h5-6,20,22H,1-2H2,(H,19,21)/i1D2,2D2
InChI Key WILFXLMJFSKQRP-LNLMKGTHSA-N
Boiling Point 416.4±45.0°C at 760 mmHg
Melting Point 182-184°C
Purity 97% by CP; 98% atom D
Density 1.7±0.1 g/cm3
Solubility Soluble in Acetonitrile, Methanol
Appearance White to Off-white Solid
Storage Store at-20°C
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