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CHEBI:759654 - nesvategrast isobutanolammonium

Default Structure
ChEBI IDCHEBI:759654
ChEBI Namenesvategrast isobutanolammonium
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H27F2N5O4.C4H11NO
Net Charge0
Average Mass564.634
Monoisotopic Mass564.28717
SMILESCC(C)(N)CO.O=C(O)C[C@@H](c1ccc(OC(F)F)nc1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O
InChIInChI=1S/C23H27F2N5O4.C4H11NO/c24-22(25)34-19-8-6-16(14-27-19)18(13-20(31)32)30-12-11-29(23(30)33)10-2-4-17-7-5-15-3-1-9-26-21(15)28-17;1-4(2,5)3-6/h5-8,14,18,22H,1-4,9-13H2,(H,26,28)(H,31,32);6H,3,5H2,1-2H3/t18-;/m0./s1
InChIKeyJXIBMMTVMVUJOQ-FERBBOLQSA-N
ChEBI Ontology
Outgoing Relation(s)
nesvategrast isobutanolammonium (CHEBI:759654) is a naphthyridine derivative (CHEBI:73539)
Synonyms  Source
Nesvategrast isobutanolammoniumChEMBL
Ott166ChEMBL
OTT-166ChEMBL
SF-0166ChEMBL