CAS 204853-33-8

(3S,4S,5S,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitro-phenoxy]tetrahydropyran-2-carboxylic acid

Description:

The chemical substance known as "(3S,4S,5S,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitro-phenoxy]tetrahydropyran-2-carboxylic acid," with the CAS number 204853-33-8, is a complex organic compound characterized by its tetrahydropyran ring structure, which features multiple hydroxyl groups that contribute to its hydrophilicity and potential for forming hydrogen bonds. The presence of a carboxylic acid functional group indicates acidic properties, while the nitro and benzoyl substituents suggest potential for biological activity and interactions with various biological targets. This compound may exhibit solubility in polar solvents due to its hydroxyl groups and could participate in various chemical reactions, including esterification and nucleophilic substitutions. Its stereochemistry, indicated by the (3S,4S,5S,6S) configuration, suggests specific spatial arrangements that may influence its biological activity and interactions. Overall, this compound's unique structure and functional groups make it of interest in medicinal chemistry and pharmacology, potentially serving as a lead compound for drug development.

Formula: C₂₀H₁₉NO₁₁

InChI: InChI=1/C20H19NO11/c1-8-2-4-9(5-3-8)13(22)10-6-11(21(29)30)14(23)12(7-10)31-20-17(26)15(24)16(25)18(32-20)19(27)28/h2-7,15-18,20,23-26H,1H3,(H,27,28)/t15-,16-,17-,18?,20+/m0/s1

Ro 61-1448

CAS: 204853-33-8

Ro 61-1448 is a metabolite of tolcapone, a catechol-O-methyltransferase inhibitor.

Formula: C₂₀H₁₉NO₁₁

Purity: 98%

Color and Shape: Solid

Molecular weight: 449.36

Ref: TM-T28593

Tolcapone 3-β-D-Glucuronide

CAS: 204853-33-8

Formula: C₂₀H₁₉NO₁₁

Color and Shape: Pale Yellow Solid

Molecular weight: 449.37

Ref: 4Z-T-152

Tolcapone 3-O-β-D-glucuronide

CAS: 204853-33-8

Ref: 7W-GC7310

Tolcapone 3-O-β-D-glucuronide

CAS: 204853-33-8

Tolcapone 3-O-β-D-glucuronide

Purity: >95%

Molecular weight: 449.36g/mol

Ref: 54-BICL4230

Tolcapone 3-β-D-Glucuronide

Controlled Product

CAS: 204853-33-8

Applications A metabolite of Tolcapone (T535250).002
References Wikberg, T., et al.: Drug Metab. Dispos., 21, 81 (1993), Jorga, K., et al.: Clin. Pharmacol. Ther., 62, 300 (1997), Kurth, M., et al.: Neurology, 48, 81 (1997),

Formula: C₂₀H₁₉NO₁₁

Color and Shape: Neat

Molecular weight: 449.36

Ref: TR-T535260

Tolcapone 3-β-D-Glucuronide

CAS: 204853-33-8

Formula: C₂₀H₁₉NO₁₁

Molecular weight: 449.4

Ref: ST-EA-CP-T164003