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CHEBI:6550 - loxtidine

ChEBI IDCHEBI:6550
ChEBI Nameloxtidine
Stars
DefinitionA 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.
Last Modified20 February 2012
DownloadsMolfile
FormulaC19H29N5O2
Net Charge0
Average Mass359.474
Monoisotopic Mass359.23213
SMILESCn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)
InChIKeyVTLNPNNUIJHJQB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
H2-receptor antagonist  H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
Application:
H2-receptor antagonist  H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
ChEBI Ontology
Outgoing Relation(s)
loxtidine (CHEBI:6550) has role H2-receptor antagonist (CHEBI:37961)
loxtidine (CHEBI:6550) is a aromatic ether (CHEBI:35618)
loxtidine (CHEBI:6550) is a piperidines (CHEBI:26151)
loxtidine (CHEBI:6550) is a primary alcohol (CHEBI:15734)
loxtidine (CHEBI:6550) is a triazoles (CHEBI:35727)
IUPAC Name 
[1-methyl-5-({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino)-1H-1,2,4-triazol-3-yl]methanol
INNs  Source
lavoltidinaChemIDplus
lavoltidineChemIDplus
lavoltidinumChemIDplus
Synonyms  Source
LoxtidineKEGG COMPOUND
LavoltidineKEGG COMPOUND
LoxtidinaChemIDplus
LoxtidinumChemIDplus
Manual XrefsDatabases
C11805KEGG COMPOUND
LoxtidineWikipedia
Registry NumbersSources
Reaxys:6876968Reaxys
CAS:76956-02-0KEGG COMPOUND
CAS:76956-02-0ChemIDplus
Citations