Molecular Identity
Trimebutine
[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
PubChem CID: 5573
3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester is a trihydroxybenzoic acid.
2D Structure
Properties
C22H29NO5
Molecular Formula
387.50
Molecular Weight
g/mol
387.2046
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
57.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
466
Complexity
SMILES
Canonical SMILES
SMILES: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)CIsomeric SMILES
SMILES: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)CSynonyms(20)
trimebutine39133-31-82-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoateTrimebutinaTrimebutinumQZ1OJ92E5R2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoatDTXSID4023707TransacalmModulon(+-)-TrimebutineMaleate, TrimebutineRefChem:389346Maleate Salt, TrimebutineSalt, Trimebutine Maleate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Trimebutine
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