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CHEBI:750871 - chlorothen citrate

Default Structure
ChEBI IDCHEBI:750871
ChEBI Namechlorothen citrate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC14H18ClN3S.C6H8O7
Net Charge0
Average Mass487.962
Monoisotopic Mass487.11800
SMILESCN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C14H18ClN3S.C6H8O7/c1-17(2)9-10-18(14-5-3-4-8-16-14)11-12-6-7-13(15)19-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8H,9-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyLLQVTRFPENCFFC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
chlorothen citrate (CHEBI:750871) is a carbonyl compound (CHEBI:36586)
Synonyms  Source
Chloromethapyrilene citrateChEMBL
Chloropyrilene citrateChEMBL
Chlorothenium citrateChEMBL