CHEBI:31417 - Clocapramine dihydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Clocapramine dihydrochloride
ChEBI ID CHEBI:31417
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C28H39Cl3N4O
C28H39ClN4O.2Cl
Net Charge 0
Average Mass 553.995
Monoisotopic Mass 552.21894
InChI InChI=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
InChIKey YMMOELGRZRDNCQ-UHFFFAOYSA-N
SMILES C1CC=2C(N(C=3C1=CC(=CC3)Cl)CCCN4CCC(CC4)(N5CCCCC5)C(N)=O)=CC=CC2.Cl.Cl
ChEBI Ontology
Outgoing Clocapramine dihydrochloride (CHEBI:31417) is a polymer (CHEBI:60027)
Synonym Source
Clocapramine dihydrochloride KEGG COMPOUND
Manual Xref Database
C12937 KEGG COMPOUND
View more database links
Registry Number Type Source
28058-62-0 CAS Registry Number KEGG COMPOUND
Last Modified
19 February 2018