CHEBI:83698 - (S)-sertaconazole(1+)

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ChEBI Name (S)-sertaconazole(1+)
ChEBI ID CHEBI:83698
ChEBI ASCII Name (S)-sertaconazole(1+)
Definition An organic cation obtained by protonation of the imidazole group of (S)-sertaconazole
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H16Cl3N2OS
Net Charge +1
Average Mass 438.77700
Monoisotopic Mass 437.00434
InChI InChI=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-/m1/s1
InChIKey JLGKQTAYUIMGRK-LJQANCHMSA-O
SMILES [H+].Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
ChEBI Ontology
Outgoing (S)-sertaconazole(1+) (CHEBI:83698) is a organic cation (CHEBI:25697)
(S)-sertaconazole(1+) (CHEBI:83698) is conjugate acid of (S)-sertaconazole (CHEBI:83684)
(S)-sertaconazole(1+) (CHEBI:83698) is enantiomer of arasertaconazole(1+) (CHEBI:83699)
Incoming (S)-sertaconazole nitrate (CHEBI:83691) has part (S)-sertaconazole(1+) (CHEBI:83698)
(S)-sertaconazole (CHEBI:83684) is conjugate base of (S)-sertaconazole(1+) (CHEBI:83698)
arasertaconazole(1+) (CHEBI:83699) is enantiomer of (S)-sertaconazole(1+) (CHEBI:83698)
Synonym Source
(S)-sertaconazole cation ChEBI
Last Modified
11 November 2014