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CHEBI:749878 - phenyltoloxamine citrate

Default Structure
ChEBI IDCHEBI:749878
ChEBI Namephenyltoloxamine citrate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC6H8O7.C17H21NO
Net Charge0
Average Mass447.484
Monoisotopic Mass447.18932
SMILESCN(C)CCOc1ccccc1Cc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyZZYHCCDMBJTROG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
phenyltoloxamine citrate (CHEBI:749878) is a diarylmethane (CHEBI:51614)
Synonym  Source
NSC-169860ChEMBL