EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31417 - Clocapramine dihydrochloride

ChEBI IDCHEBI:31417
ChEBI NameClocapramine dihydrochloride
Stars
Last Modified19 February 2018
DownloadsMolfile
FormulaC28H37ClN4O.2HCl
Net Charge0
Average Mass554.006
Monoisotopic Mass552.21894
SMILESCl.Cl.NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C28H37ClN4O.2ClH/c29-24-11-12-26-23(21-24)10-9-22-7-2-3-8-25(22)33(26)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H
InChIKeyYMMOELGRZRDNCQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Clocapramine dihydrochloride (CHEBI:31417) is a polymer (CHEBI:60027)
Synonym  Source
Clocapramine dihydrochlorideKEGG COMPOUND
Manual XrefsDatabases
C12937KEGG COMPOUND
Registry NumbersSources
CAS:28058-62-0KEGG COMPOUND