CHEBI:6550 - loxtidine

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ChEBI Name loxtidine
ChEBI ID CHEBI:6550
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H29N5O2
Net Charge 0
Average Mass 359.46590
Monoisotopic Mass 359.232
InChI InChI=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)
InChIKey VTLNPNNUIJHJQB-UHFFFAOYSA-N
SMILES Cn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1
Roles Classification
Biological Role(s): 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(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
lavoltidina ChemIDplus
lavoltidine ChemIDplus
lavoltidinum ChemIDplus
Synonyms Sources
Lavoltidine KEGG COMPOUND
Loxtidina ChemIDplus
Loxtidine KEGG COMPOUND
Loxtidinum ChemIDplus
Manual Xrefs Databases
C11805 KEGG COMPOUND
Loxtidine Wikipedia
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Registry Numbers Types Sources
6876968 Reaxys Registry Number Reaxys
76956-02-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
20 February 2012