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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.

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

3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester-[13C4]

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General Information
Catalog: BLP-006353
CAS: 1391052-23-5
Molecular Formula: C8[13C]4H9Cl2NO3
Molecular Weight: 290.08
Chemical Structure
3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester-[13C4]
Description 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester-[13C4] is the labelled analogue of 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester, which is used in the preparation of isoxazolyl penicillin derivatives.
Synonyms 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic-13C4 Acid Methyl Ester; Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate-13C4; methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate-13C4; Methyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate-13C4
IUPAC Name methyl 3-(2,6-dichlorophenyl)-5-(1-13C)methyl-(4,5-13C2)1,2-oxazole-4-carboxylate-13C
Related CAS 4402-83-9 (unlabelled)
Canonical SMILES CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC
InChI InChI=1S/C12H9Cl2NO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3/i1+1,6+1,9+1,12+1
InChI Key YPCASVCAZYPZOI-DMBDGDEGSA-N
Purity 98%
Solubility Soluble in Chloroform, Ethyl Acetate
Appearance Off-white Solid
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