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CHEBI:83699 - arasertaconazole(1+)

ChEBI IDCHEBI:83699
ChEBI Namearasertaconazole(1+)
Stars
Last Modified14 March 2025
SubmitterSteve
DownloadsMolfile
FormulaH.C20H15Cl3N2OS
Net Charge+1
Average Mass438.787
Monoisotopic Mass437.00434
SMILESClc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.[H+]
InChIInChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/p+1/t19-/m0/s1
InChIKeyJLGKQTAYUIMGRK-IBGZPJMESA-O
ChEBI Ontology
Outgoing Relation(s)
arasertaconazole(1+) (CHEBI:83699) is a organic cation (CHEBI:25697)
arasertaconazole(1+) (CHEBI:83699) is conjugate acid of arasertaconazole (CHEBI:83685)
arasertaconazole(1+) (CHEBI:83699) is enantiomer of (S)-sertaconazole(1+) (CHEBI:83698)
Incoming Relation(s)
arasertaconazole nitrate (CHEBI:83692) has part arasertaconazole(1+) (CHEBI:83699)
arasertaconazole (CHEBI:83685) is conjugate base of arasertaconazole(1+) (CHEBI:83699)
(S)-sertaconazole(1+) (CHEBI:83698) is enantiomer of arasertaconazole(1+) (CHEBI:83699)
Synonym  Source
arasertaconazole cationChEBI