Molecular Identity
Loxtidine
[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
PubChem CID: 55473
Loxtidine is a triazole that consists of 1,2,4-triazole bearing a methyl substituent at position 1, a hydroxymethyl substituent at position 3 and a {3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino group at position 5. A highly potent and selective H2-receptor antagonist. It has a role as a H2-receptor antagonist. It is a primary alcohol, a member of piperidines, an aromatic ether and a member of triazoles.
2D Structure
Properties
C19H29N5O2
Molecular Formula
359.50
Molecular Weight
g/mol
359.2321
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
75.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
394
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3Isomeric SMILES
SMILES: CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3Synonyms(20)
LAVOLTIDINELoxtidine76956-02-0LavoltidinaLoxtidinumLoxtidinaLavoltidinumLOXOTIDINEDTXSID0020785AH-23844 FREE BASE1H-1,2,4-Triazole-3-methanol, 1-methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-X16K5179V5CHEBI:6550[1-methyl-5-({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino)-1H-1,2,4-triazol-3-yl]methanolAH-23844
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Loxtidine
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