CHEBI:132296 - pseudoephedrine(1+)

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ChEBI Name pseudoephedrine(1+)
ChEBI ID CHEBI:132296
Definition An organic cation obtained by protonation of the secondary amino function of pseudoephedrine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H16NO
Net Charge +1
Average Mass 166.241
Monoisotopic Mass 166.12264
InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10+/m0/s1
InChIKey KWGRBVOPPLSCSI-WCBMZHEXSA-O
SMILES C=1C=C(C=CC1)[C@@H]([C@@H]([NH2+]C)C)O
ChEBI Ontology
Outgoing pseudoephedrine(1+) (CHEBI:132296) is a ammonium ion derivative (CHEBI:35274)
pseudoephedrine(1+) (CHEBI:132296) is a organic cation (CHEBI:25697)
pseudoephedrine(1+) (CHEBI:132296) is conjugate acid of pseudoephedrine (CHEBI:51209)
pseudoephedrine(1+) (CHEBI:132296) is enantiomer of (1R,2R)-pseudoephedrine(1+) (CHEBI:149674)
Incoming pseudoephedrine hydrochloride (CHEBI:8604) has part pseudoephedrine(1+) (CHEBI:132296)
pseudoephedrine (CHEBI:51209) is conjugate base of pseudoephedrine(1+) (CHEBI:132296)
(1R,2R)-pseudoephedrine(1+) (CHEBI:149674) is enantiomer of pseudoephedrine(1+) (CHEBI:132296)
IUPAC Name
(1S,2S)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium
Synonyms Sources
(1S,2S)-pseudoephedrine UniProt
pseudoephedrine cation ChEBI
Last Modified
07 May 2020