Molecular Identity
TRIMETHAPHAN
3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one
PubChem CID: 23576
Trimethaphan is a complex heterocyclic sulfonium compound with an imidazolium core, used to treat hypertension. It has a role as a vasodilator agent, an antihypertensive agent, a nicotinic antagonist and an anaesthesia adjuvant.
2D Structure
Properties
C22H25N2OS+
Molecular Formula
365.50
Molecular Weight
g/mol
365.1688
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
24.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
514
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TRIMETHAPHANTrimetaphanThimethaphanTrimetaphanum7187-66-8Trimethaphan ionTrimethaphan cationDTXSID80437876G8X656T45CHEBI:97281,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-iumThieno(1',2':1,2)thieno(3,4-d)imidazol-5-ium, decahydro-2-oxo-1,3-bis(phenylmethyl)-1,3-DIBENZYL-2-OXODECAHYDROTHIENO(1',2':1,2)THIENO(3,4-D)IMIDAZOL-5-IUM3,5-dibenzyl-4-oxo-8$l^(4)-thia-3,5-diazatricyclo(6.3.0.0^(2,6))undecan-8-ylium3,5-dibenzyl-4-oxo-8$l^{4}-thia-3,5-diazatricyclo[6.3.0.0^{2,6}]undecan-8-ylium
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to TRIMETHAPHAN
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