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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1974))
IUPAC Name Click here for help
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
ChEMBL Ligand CHEMBL1201256
DrugBank Ligand B00662
DrugCentral Ligand 2754
GtoPdb PubChem SID 223365949
PubChem CID 5577
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Wikipedia Trimethobenzamide