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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.

3-Hydroxy Benzopyrene-[d11]

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General Information
Catalog: BLP-012974
CAS: 1246819-35-1
Molecular Formula: C20HD11O
Molecular Weight: 279.38
Chemical Structure
3-Hydroxy Benzopyrene-[d11]
Description 3-Hydroxy Benzopyrene-[d11] is the labelled analogue of 3-Hydroxy Benzopyrene, which is a metabolite of Benzopyrene. Benzopyrene is a carcinogenic component of tobacco smoke implicated in lung cancer.
Synonyms 3-Hydroxy Benzopyrene-d11; Benzo[a]pyren-3-ol-d11; 3-Hydroxy-3,4-benzo[a]pyrene-d11; 3-Hydroxybenzo[a]pyrene-d11
IUPAC Name 1,2,4,5,6,7,8,9,10,11,12-undecadeuteriobenzo[a]pyren-3-ol
Related CAS 13345-21-6 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C2C3=C4C(=C(C2=C1[2H])[2H])C(=C(C5=C(C(=C(C(=C54)C(=C3[2H])[2H])[2H])[2H])O)[2H])[2H])[2H])[2H]
Canonical SMILES C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)O
InChI InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D
InChI Key SPUUWWRWIAEPDB-LFFOKYCESA-N
Melting Point 182-192°C
Purity ≥98% by HPLC; ≥97% atom D
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance Yellow to Brown Solid
Storage Store at 2-8°C
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