trimethobenzamide   Click here for help

GtoPdb Ligand ID: 7614

Synonyms: Tigan® | trimethobenzamide hydrochloride
Approved drug
trimethobenzamide is an approved drug (FDA (1974))
Compound class: Synthetic organic
Comment: Marketed formulations contain trimethobenzamide hydrochloride.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 69.26
Molecular weight 388.2
XLogP 2.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C
Isomeric SMILES COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C
InChI InChI=1S/C21H28N2O5/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)
InChI Key FEZBIKUBAYAZIU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1974))
IUPAC Name Click here for help
N-[[4-(2-dimethylaminoethoxy)phenyl]methyl]-3,4,5-trimethoxybenzamide
International Nonproprietary Names Click here for help
INN number INN
957 trimethobenzamide
Synonyms Click here for help
Tigan® | trimethobenzamide hydrochloride
Database Links Click here for help
CAS Registry No. 138-56-7
ChEBI CHEBI:27796
ChEMBL Ligand CHEMBL1201256
DrugBank Ligand B00662
DrugCentral Ligand 2754
GtoPdb PubChem SID 223365949
PubChem CID 5577
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Wikipedia Trimethobenzamide