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CHEBI:48392 - cinacalcet carbamate

ChEBI IDCHEBI:48392
ChEBI Namecinacalcet carbamate
Stars
Last Modified11 November 2014
Submitterhcourrier
DownloadsMolfile
FormulaC23H22F3NO2
Net Charge0
Average Mass401.428
Monoisotopic Mass401.16026
SMILESC[C@@H](NC(=O)OCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C23H22F3NO2/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)27-22(28)29-14-6-8-17-7-4-11-19(15-17)23(24,25)26/h2-5,7,9-13,15-16H,6,8,14H2,1H3,(H,27,28)/t16-/m1/s1
InChIKeyCWUNPFVHATZKFE-MRXNPFEDSA-N
ChEBI Ontology
Outgoing Relation(s)
cinacalcet carbamate (CHEBI:48392) has functional parent 3-[3-(trifluoromethyl)phenyl]propan-1-ol (CHEBI:48528)
cinacalcet carbamate (CHEBI:48392) has functional parent cinacalcet (CHEBI:48390)
cinacalcet carbamate (CHEBI:48392) is a (trifluoromethyl)benzenes (CHEBI:83565)
cinacalcet carbamate (CHEBI:48392) is a carbamate ester (CHEBI:23003)
IUPAC Name 
3-[3-(trifluoromethyl)phenyl]propyl [(1R)-1-(1-naphthyl)ethyl]carbamate
Synonym  Source
3-(3-(trifluoromethyl)phenyl)propyl(R)-1(naphthalem-1-yl)ethyl carbamatePatent
Manual XrefsDatabases
US2007060645Patent