Scoparone-13C2D6

CAS: 120-08-1

Ref. TR-S199982

Product Information

• Name: Scoparone-13C2D6
• Synonyms: 6,7-Dimethoxy-2H-chromen-2-one-13C2D6, 6,7-Dimethoxycoumarin-13C2D6, 6,7-Dimethylesculetin-13C2D6, Aesculetin Dimethyl-13C2D6 Ether, Escoparone-13C2D6, Esculetin 6,7-Dimethyl-13C2D6 Ether, Esculetin-13C2D6 Dimethyl Ether, NRB 03190-13C2D6, O,O-Dimethylesculetin-13C2D6, O-Methylisoscopoletin-13C2D6, O-Methylscopoletin-13C2D6, Scoparon-13C2D6, Scopoletin-13C2D6 Methyl Ether, Scopoletin-13C2D6 Monomethyl Ether, 2H-1-Benzopyran-2-one, 6,7-dimethoxy-, 6,7-Dimethoxy-2H-1-benzopyran-2-one, 6,7-Dimethylesculetin, 6,7-dimethoxy-2H-chromen-2-one, Aesculetin dimethyl ether, Coumarin, 6,7-dimethoxy-, Escoparone, Esculetin 6,7-dimethyl ether, Esculetin dimethyl ether, Nrb 03190, O,O-Dimethylesculetin, O-Methylisoscopoletin, O-Methylscopoletin, Scoparon, Scoparone, Scopoletin methyl ether, Scopoletin monomethyl ether
• CAS: 120-08-1

Description

Applications Scoparone-13C2D6 is a by-product in the synthesis of Scopoletin-13C,d3 (S200502). Scopoletin-13C,d3, is the labeled analogue of Scopoletin (S200500), used for cosmetics, topical formulations, and foods. Scoparone-13C2D6 is also the labeled form of Scoparone (S199980), which regulates the expression of Th1/Th2 cytokines and IgE and is effective in treating allergic rhinitis.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Cheng, L., et. al.: Linchuang Er-Bi-Yanhou Tou-Jing Waike Zazhi, 27, 1310 (2013)

• Brand: TRC

Chemical properties

• Molecular weight: 214.22
• Formula: C₉C₂H₄D₆O₄
• Color/Form: Neat
• InChI: InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3/i1+1D3,2+1D3
• InChI key: InChIKey=GUAFOGOEJLSQBT-KLFIIISESA-N
• SMILES: [2H][13C]([2H])([2H])Oc1cc2ccc(=O)oc2cc1O[13C]([2H])([2H])[2H]