Trimebutine 3-Thiocarbamoylbenzenesulfonate
3-carbamothioylbenzenesulfonic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
Molecular Identity
Trimebutine 3-Thiocarbamoylbenzenesulfonate
3-carbamothioylbenzenesulfonic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
PubChem CID: 71725148
2D Structure
Properties
C29H36N2O8S2
Molecular Formula
604.70
Molecular Weight
g/mol
604.1913
Exact Mass
Da
178
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
759
Complexity
SMILES
Canonical SMILES
SMILES: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C1=CC(=CC(=C1)S(=O)(=O)O)C(=S)NIsomeric SMILES
SMILES: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C1=CC(=CC(=C1)S(=O)(=O)O)C(=S)NSynonyms(20)
Trimebutine 3-thiocarbamoylbenzenesulfonate1456509-46-8GIC-1001GIC 10015O1CF9IS483-Carbamothioylbenzenesulfonic acid, (2-(dimethylamino)-2-phenyl-butyl) 3,4,5-trimethoxybenzoateBenzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, 3-(aminothioxomethyl)benzenesulfonate (1:1)RefChem:191721TB-905-02Trimebutine (3-TCBS)UNII-5O1CF9IS48Trimebutine CTB saltGIC1001 CTB saltorb1700519CHEMBL4297381
Data from PubChem (NCBI)
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Drug Network
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