CHEBI:140417 - ketotifen(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ketotifen(1+)
ChEBI ID CHEBI:140417
Definition An ammonium ion resulting from the protonation of the tertiary amino group of ketotifen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H20NOS
Net Charge +1
Average Mass 310.435
Monoisotopic Mass 310.12601
InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3/p+1
InChIKey ZCVMWBYGMWKGHF-UHFFFAOYSA-O
SMILES C1(CC=2C(C(C3=C1SC=C3)=C4CC[NH+](CC4)C)=CC=CC2)=O
ChEBI Ontology
Outgoing ketotifen(1+) (CHEBI:140417) is a ammonium ion derivative (CHEBI:35274)
ketotifen(1+) (CHEBI:140417) is conjugate acid of ketotifen (CHEBI:92511)
Incoming ketotifen fumarate (CHEBI:31750) has part ketotifen(1+) (CHEBI:140417)
ketotifen (CHEBI:92511) is conjugate base of ketotifen(1+) (CHEBI:140417)
IUPAC Name
1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium
Last Modified
13 March 2018