Molecular Identity
Trimethobenzamide
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID: 5577
Trimethobenzamide is the amide obtained by formal condensation of 3,4,5-trihydroxybenzoic acid with 4-[2-(N,N-dimethylamino)ethoxy]benzylamine. It is used to prevent nausea and vomitting in humans. It has a role as an antiemetic. It is a member of benzamides and a tertiary amino compound.
2D Structure
Properties
C21H28N2O5
Molecular Formula
388.50
Molecular Weight
g/mol
388.1998
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
69.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
440
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OCIsomeric SMILES
SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OCSynonyms(20)
trimethobenzamide138-56-7TrimetobenzamidaTrimethobenzamidumAmetik damlaBenzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide4-(2-Dimethylaminoethoxy)-N-(3,4,5-trimethoxybenzoyl)benzylamineW2X096QY97DTXSID8023711CHEBI:27796Benzamide, N-(p-(2-(dimethylamino)ethoxy)benzyl)-3,4,5-trimethoxy-N-({4-[2-(dimethylamino)ethoxy]phenyl}methyl)-3,4,5-trimethoxybenzamideBenzamide, N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4,5-trimethoxy-N-[[4-(2-dimethylaminoethoxy)phenyl]methyl]-3,4,5-trimethoxybenzamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Trimethobenzamide
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