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CHEBI:73303 - aminopotentidine

ChEBI IDCHEBI:73303
ChEBI Nameaminopotentidine
Stars
DefinitionA benzamide obtained by formal condensation of the carboxy group of 4-aminobenzoic acid with the primary amino group of 1-(2-aminoethyl)-2-cyano-3-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}guanidine.
Last Modified29 April 2013
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC26H35N7O2
Net Charge0
Average Mass477.613
Monoisotopic Mass477.28522
SMILESN#C/N=C(\NCCCOc1cccc(CN2CCCCC2)c1)NCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C26H35N7O2/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32)
InChIKeyCICDSYWWNDGAGD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
aminopotentidine (CHEBI:73303) has role H2-receptor antagonist (CHEBI:37961)
aminopotentidine (CHEBI:73303) is a aromatic ether (CHEBI:35618)
aminopotentidine (CHEBI:73303) is a benzamides (CHEBI:22702)
aminopotentidine (CHEBI:73303) is a guanidines (CHEBI:24436)
aminopotentidine (CHEBI:73303) is a nitrile (CHEBI:18379)
aminopotentidine (CHEBI:73303) is a piperidines (CHEBI:26151)
aminopotentidine (CHEBI:73303) is a substituted aniline (CHEBI:48975)
IUPAC Name 
4-amino-N-[2-(N''-cyano-N'-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}carbamimidamido)ethyl]benzamide
Registry NumbersSources
Reaxys:5487725Reaxys
Citations