3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester

The CAS register number of Trimebutine is 39133-31-8. It also can be called as 3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester and the IUPAC name about this chemical is [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate. The molecular formula about this chemical is C₂₂H₂₉NO₅ and the molecular weight is 387.47. It belongs to the Active Pharmaceutical Ingredients. This chemical is a drug with antimuscarinic and weak mu opioid agonist effects and it can be proposed spasmolytic with possible local anesthetic action used in gastrointestinal disorders.

Physical properties about Trimebutine are: (1)ACD/LogP: 4.34; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 4.09; (4)ACD/BCF (pH 5.5): 19.38; (5)ACD/BCF (pH 7.4): 653.98; (6)ACD/KOC (pH 5.5): 90.68; (7)ACD/KOC (pH 7.4): 3060.71; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 57.23Ų; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 109 cm³; (13)Molar Volume: 350.6 cm³; (14)Polarizability: 43.21x10^-24cm³; (15)Surface Tension: 38 dyne/cm; (16)Enthalpy of Vaporization: 71.82 kJ/mol; (17)Boiling Point: 457.9 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-08 mmHg at 25°C.

The Trimebutine is an opiate modulator of the gastrointestinal motility that interacts with enkephalinergic receptors.  The actions of trimebutine [3,4,5-trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutylester] on the gastrointestinal tract are mediated via  an agonist effect on peripheral mu, kappa and delta opiate receptors and release of gastrointestinal peptides such as motilin and modulation of the release of other peptides, including vasoactive intestinal peptide, gastrin and glucagon. Trimebutine accelerates gastric emptying, induces premature phase III of the migrating motor complex in the intestine and modulates the contractile activity of the colon. Recently, trimebutine has also been shown to decrease reflexes induced by distension of the gut lumen in animals and it may therefore modulate visceral sensitivity. Clinically, trimebutine has proved to be effective in the treatment of both acute and chronic abdominal pain in patients with functional bowel disorders, especially irritable bowel syndrome, at doses ranging from 300 to 600 mg/day. This chemical is also effective in children presenting with abdominal pain.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(c1ccccc1)(N(C)C)CC)c2cc(OC)c(OC)c(OC)c2
(2)InChI: InChI=1/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
(3)InChIKey: LORDFXWUHHSAQU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
(5)Std. InChIKey: LORDFXWUHHSAQU-UHFFFAOYSA-N