2-(3-(1-Benzylpiperidin-4-yl)-2-oxopropyl)-4,5-dimethoxybenzoic acid

CAS: 197010-25-6

Ref. 3D-IB18541

Product Information

• Name: 2-(3-(1-Benzylpiperidin-4-yl)-2-oxopropyl)-4,5-dimethoxybenzoic acid
• Synonyms: 4,5-Dimethoxy-2-[2-oxo-3-[1-(phenylmethyl)-4-piperidinyl]propyl]benzoic acid
• Brand: Biosynth
• Description: 2-(3-(1-Benzylpiperidin-4-yl)-2-oxopropyl)-4,5-dimethoxybenzoic acid is a synthetic compound that is being researched as a potential drug product. It is an impurity standard for HPLC and has been used in the past to develop drugs. The chemical structure of this compound closely resembles that of the natural metabolite 4,5-dimethoxybenzoic acid, which is found in plants such as thyme. 2-(3-(1-Benzylpiperidin-4-yl)-2-oxopropyl)-4,5-dimethoxybenzoic acid has shown to inhibit human cytochrome P450 enzymes, which may lead to serious side effects when taken orally.

Chemical properties

• Molecular weight: 411.49 g/mol
• Formula: C₂₄H₂₉NO₅
• Purity: Min. 95%
• InChI: InChI=1S/C24H29NO5/c1-29-22-14-19(21(24(27)28)15-23(22)30-2)13-20(26)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,27,28)
• InChI key: InChIKey=YIAUAIMWYFAKMQ-UHFFFAOYSA-N
• SMILES: COc1cc(CC(=O)CC2CCN(Cc3ccccc3)CC2)c(C(=O)O)cc1OC