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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-epi-Ochratoxin A-[d5]

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General Information
Catalog: BLP-002719
CAS: 1177316-02-7
Molecular Formula: C20H13D5ClNO6
Molecular Weight: 408.84
Chemical Structure
3-epi-Ochratoxin A-[d5]
Description 3-epi-Ochratoxin A-[d5] is the labelled analogue of 3-epi-Ochratoxin A, which is a toxic metabolite from Aspergillus orchraceus.
Synonyms 3-epi-Ochratoxin A D5; 3S,14S-Ochratoxin A-d5; N-[[(3S)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine-d5; (+)-N-(((3S)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-yl)carbonyl)-L-d5-phenylalanine
IUPAC Name (2S)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Related CAS 189152-21-4 (unlabelled)
Canonical SMILES CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl
InChI InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m0/s1/i2D,3D,4D,5D,6D
InChI Key RWQKHEORZBHNRI-JYRICJBVSA-N
Melting Point 176-182 °C
Purity > 95%; > 97% atom D
Solubility Slightly soluble in Chloroform (Sonicated), DMSO, Methanol (Sonicated)
Appearance White to Off-white Solid
Storage 2-8 °C under inert atmosphere
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