(S)-Ibuprofen (S)-Methocarbamol Ester

CAS: 111632-17-8

Ref. TR-I140070

Product Information

• Name: (S)-Ibuprofen (S)-Methocarbamol Ester
• Synonyms: [(2S)-1-carbamoyloxy-3-(2-methoxyphenoxy)propan-2-yl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate, 1-[[(Aminocarbonyl)oxy]methyl]-2-(2-methoxyphenoxy)ethyl α-methyl-4-(2-methylpropyl)benzeneacetate, Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, 1-[[(aminocarbonyl)oxy]methyl]-2-(2-methoxyphenoxy)ethyl ester, Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, 2-[(aminocarbonyl)oxy]-1-[(2-methoxyphenoxy)methyl]ethyl ester, Ibuprofen methocarbamol ester

Description

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),

• Brand: TRC

Chemical properties

• Molecular weight: 429.506
• Formula: C₂₄H₃₁NO₆
• Color/Form: 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
• InChI key: InChIKey=DAMPDGWOAVJJEN-PXNSSMCTSA-N
• SMILES: COc1ccccc1OC[C@@H](COC(N)=O)OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1