(S)-Ibuprofen (S)-Methocarbamol Ester

CAS: 111632-17-8

Ref. TR-I140070

Informação sobre produto

• Nome: (S)-Ibuprofen (S)-Methocarbamol Ester
• Sinónimos: [(2S)-1-carbamoyloxy-3-(2-methoxyphenoxy)propan-2-yl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

Descrição

Applications (S)-Ibuprofen (S)-Methocarbamol Ester is an isomer of Ibuprofen Methocarbamol Ester (I140050), the condensation product of Ibuprofen (I140000) and methocarbamol (M225950). Various studies have been done to investigate the ability of Ibuprofen Methocarbamol Ester as an both antiinflammatory and muscle relaxant.
References Topliss, J., et al.: J. Med. Chem., 22, 1238 (1979), Walters, W., et al.: Drug Discov. Today., 3, 160 (1998), Baldi, P., et al.: Bioinformatics, 16, 412 (2000), Kouznetsov, V., et al.: J. Arch. Pharm., 337, 127 (2004), Busson, M., et al.: J. Int. Med Res., 14, 53 (1986), Meade, E.A., et al.: J. Biol. Chem., 268, 6610 (1993), Davies, N.M., et al.: Clin. Pharmacokinet., 34, 101 (1998),

• Marca: TRC

Propriedades químicas

• Peso molecular: 429.506
• Fórmula: C₂₄H₃₁NO₆
• Cor/forma: Neat
• InChI: InChI=1S/C24H31NO6/c1-16(2)13-18-9-11-19(12-10-18)17(3)23(26)31-20(15-30-24(25)27)14-29-22-8-6-5-7-21(22)28-4/h5-12,16-17,20H,13-15H2,1-4H3,(H2,25,27)/t17-,20-/m0/s1
• Chave InChI: InChIKey=DAMPDGWOAVJJEN-PXNSSMCTSA-N
• SMILES: COc1ccccc1OC[C@@H](COC(N)=O)OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1