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CHEBI:76106 - rac-laudanosoline

ChEBI IDCHEBI:76106
ChEBI Namerac-laudanosoline
Stars
ASCII Namerac-laudanosoline
DefinitionA racemate composed of equimolar amounts of (R)- and (S)-laudanosoline
Last Modified28 October 2013
SubmitterSteve
DownloadsMolfile
FormulaC20H25NO4
Net Charge0
Average Mass343.423
Monoisotopic Mass343.17836
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O
InChIInChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3
InChIKeyMPYHGNAJOKCMAQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
rac-laudanosoline (CHEBI:76106) has part (R)-laudanine (CHEBI:76105)
rac-laudanosoline (CHEBI:76106) has part (S)-laudanine (CHEBI:76101)
rac-laudanosoline (CHEBI:76106) is a racemate (CHEBI:60911)
IUPAC Name 
rac-5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
Synonyms  Source
(RS)-laudanosolineChEBI
(±)-laudanosolineChEBI
racemic laudanosolineChEBI
DL-laudanosolineChEBI
Manual XrefsDatabases
C17592KEGG COMPOUND
Registry NumbersSources
Reaxys:96360Reaxys
CAS:85-64-3KEGG COMPOUND
CAS:85-64-3ChemIDplus