loading...| Preferred Name |
cinacalcet |
|
| Synonyms |
N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine Mimpara (R)-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine CNC cinacalcet N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine |
|
| Definitions |
A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_48390 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:17652181 DrugBank:DB01012 CAS:226256-56-0 Drug_Central:647 Patent:US6211244 Reaxys:10191346 PMID:16680561 LINCS:LSM-5815 Wikipedia:Cinacalcet Patent:US2007060645 KEGG:D03504 Patent:US6011068 |
|
| definition |
A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group. |
|
| formula |
C22H22F3N |
|
| has role | ||
| has_exact_synonym |
N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Mimpara (R)-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine CNC cinacalcet N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine |
|
| id |
CHEBI:48390 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H22F3N/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/t16-/m1/s1 |
|
| inchikey |
VDHAWDNDOKGFTD-MRXNPFEDSA-N |
|
| label |
cinacalcet |
|
| mass |
357.41203 |
|
| monoisotopicmass |
357.17043 |
|
| notation |
CHEBI:48390 |
|
| prefLabel |
cinacalcet |
|
| smiles |
C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50995 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 |