Trimethobenzamide hydrochlorideProduct ingredient for Trimethobenzamide
- Name
- Trimethobenzamide hydrochloride
- Drug Entry
- Trimethobenzamide
Trimethobenzamide is a novel antiemetic which prevents nausea and vomiting in humans. Its actions are unclear but most likely involves the chemoreceptor trigger zone (CTZ). In dogs pretreated with trimethobenzamide HCl, the emetic response to apomorphine is inhibited, while little or no protection is afforded against emesis induced by intragastric copper sulfate.
- Accession Number
- DBSALT000501
- Structure
Structure for Trimethobenzamide hydrochloride (DBSALT000501)
- Synonyms
- Trimethobenzamide HCl
- UNII
- WDQ5P1SX7Q
- CAS Number
- 554-92-7
- Weight
- Average: 424.918
Monoisotopic: 424.176499755 - Chemical Formula
- C21H29ClN2O5
- InChI Key
- WIIZEEPFHXAUND-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H28N2O5.ClH/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4;/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24);1H
- IUPAC Name
- N-({4-[2-(dimethylamino)ethoxy]phenyl}methyl)-3,4,5-trimethoxybenzene-1-carboximidic acid hydrochloride
- SMILES
- Cl.COC1=CC(=CC(OC)=C1OC)C(O)=NCC1=CC=C(OCCN(C)C)C=C1
- External Links
- PubChem Compound
- 68385
- ChemSpider
- 61671
- ChEBI
- 774838
- ChEMBL
- CHEMBL1200887
- Wikipedia
- Trimethobenzamide
- Predicted Properties
Property Value Source Water Solubility 0.0247 mg/mL ALOGPS logP 3.03 ALOGPS logP 1.77 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 7.8 Chemaxon pKa (Strongest Basic) 8.82 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 72.75 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 109.04 m3·mol-1 Chemaxon Polarizability 43.36 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon