CHEBI:145808 - (S)-methcathinone

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ChEBI Name (S)-methcathinone
ChEBI ID CHEBI:145808
ChEBI ASCII Name (S)-methcathinone
Definition A 2-methylamino-1-phenylpropan-1-one that has (S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H13NO
Net Charge 0
Average Mass 163.220
Monoisotopic Mass 163.09971
InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-/m0/s1
InChIKey LPLLVINFLBSFRP-QMMMGPOBSA-N
SMILES C=1C=C(C=CC1)C([C@@H](NC)C)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (S)-methcathinone (CHEBI:145808) is a 2-methylamino-1-phenylpropan-1-one (CHEBI:149677)
(S)-methcathinone (CHEBI:145808) is conjugate base of (S)-methcathinone(1+) (CHEBI:145731)
(S)-methcathinone (CHEBI:145808) is enantiomer of (R)-methcathinone (CHEBI:149678)
Incoming methcathinone (CHEBI:149681) has part (S)-methcathinone (CHEBI:145808)
(S)-methcathinone(1+) (CHEBI:145731) is conjugate acid of (S)-methcathinone (CHEBI:145808)
(R)-methcathinone (CHEBI:149678) is enantiomer of (S)-methcathinone (CHEBI:145808)
IUPAC Name
(2S)-2-(methylamino)-1-phenylpropan-1-one
Synonyms Sources
(−)-methcathinone ChemIDplus
(2S)-1-phenyl-2-(methylamino)-1-propanone ChEBI
(S)-(−)-methcathinone ChEBI
(S)-1-phenyl-1-oxo-2-methylaminopropane ChEBI
(S)-2-methylamino-1-phenylpropan-1-one ChEBI
Manual Xref Database
C22263 KEGG COMPOUND
View more database links
Registry Number Type Source
112117-24-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
31900306 PubMed citation Europe PMC
Last Modified
07 May 2020
General Comment
2020-05-07 Reported in DOI:10.1021/acscatal.9b00621 and in patent: WO 2019/002459 (ref. 20).