Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
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.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-011531 |
CAS: 1261398-47-3 |
Molecular Formula: C[13C]6H8ClNO3 |
Molecular Weight: 195.55 |
Chemical Structure |
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Description | Mesalamine-[13C6] is the labelled analogue of Mesalamine, which is an aminosalicylate anti-inflammatory drug used to treat inflammatory bowel disease. |
Synonyms | Mesalamine-13C6 Hydrochloride; 5-Aminosalicylic Acid-13C6 Hydrochloride; 5-Amino-2-hydroxybenzoic Acid-13C6 Hydrochloride; Fisalamine-13C6 Hydrochloride; 5-ASA-13C6 Hydrochloride; Asacol-13C6 Hydrochloride; Asacolitin-13C6 Hydrochloride; Claversal-13C6 Hydrochloride; Mesasal-13C6 Hydrochloride; Pentasa-13C6 Hydrochloride |
IUPAC Name | 5-amino-2-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid;hydrochloride |
Related CAS | 89-57-6 (unlabelled free base) 6291-36-7 (unlabelled) 1189709-96-3 (free base) |
Isomeric SMILES | [13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1N)C(=O)O)O.Cl |
Canonical SMILES | C1=CC(=C(C=C1N)C(=O)O)O.Cl |
InChI | InChI=1S/C7H7NO3.ClH/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H/i1+1,2+1,3+1,4+1,5+1,6+1; |
InChI Key | KKRSNTURHSOKTM-BVNCJLROSA-N |
Melting Point | >165°C (dec.) |
Purity | ≥95%; ≥99% atom 13C |
Solubility | Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly, Heated) |
Appearance | Off-white to Light Grey Solid |
Storage | Store at 2-8°C under inert atmosphere |
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