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CHEBI:203914 - Dechlorobarbamide

ChEBI IDCHEBI:203914
ChEBI NameDechlorobarbamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24Cl2N2O2S
Net Charge0
Average Mass427.397
Monoisotopic Mass426.09355
SMILESCO/C(=C/C(=O)N(C)C(Cc1ccccc1)c1nccs1)C[C@H](C)C(Cl)Cl
InChIInChI=1S/C20H24Cl2N2O2S/c1-14(19(21)22)11-16(26-3)13-18(25)24(2)17(20-23-9-10-27-20)12-15-7-5-4-6-8-15/h4-10,13-14,17,19H,11-12H2,1-3H3/b16-13+/t14-,17?/m0/s1
InChIKeyAOEGCPSVMLZAOC-FSJNOBNXSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(00)00763-8)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
Dechlorobarbamide (CHEBI:203914) is a amphetamines (CHEBI:35338)
IUPAC Name 
(E,5S)-6,6-dichloro-3-methoxy-N,5-dimethyl-N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide
Manual XrefsDatabases
78440178ChemSpider