EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48391 - cinacalcet hydrochloride

ChEBI IDCHEBI:48391
ChEBI Namecinacalcet hydrochloride
Stars
DefinitionA hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride.
Last Modified12 July 2011
Submitterhcourrier
DownloadsMolfile
FormulaC22H22F3N.HCl
Net Charge0
Average Mass393.880
Monoisotopic Mass393.14711
SMILESC[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl
InChIInChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1
InChIKeyQANQWUQOEJZMLL-PKLMIRHRSA-N
Roles Classification
Biological Role:
P450 inhibitor  An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.
Application:
calcimimetic  A drug that it mimics the action of calcium on tissues.
ChEBI Ontology
Outgoing Relation(s)
cinacalcet hydrochloride (CHEBI:48391) has functional parent cinacalcet (CHEBI:48390)
cinacalcet hydrochloride (CHEBI:48391) has role calcimimetic (CHEBI:48525)
cinacalcet hydrochloride (CHEBI:48391) has role P450 inhibitor (CHEBI:50183)
cinacalcet hydrochloride (CHEBI:48391) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine hydrochloride
Synonyms  Source
CNC-HClPatent
MimparaChEBI
SensiparKEGG DRUG
Brand Name  Source
SENSIPAR™Patent
Manual XrefsDatabases
D03505KEGG DRUG
US2007060645Patent
WO2010094674Patent
US2010298606Patent
Registry NumbersSources
Reaxys:10219584Reaxys
CAS:364782-34-3Patent
CAS:364782-34-3ChemIDplus
Citations