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CHEBI:136682 - tembetarine

ChEBI IDCHEBI:136682
ChEBI Nametembetarine
Stars
DefinitionA quaternary ammonium ion obtained by methylation of the tertiary amino function of reticuline.
Last Modified31 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H26NO4
Net Charge+1
Average Mass344.431
Monoisotopic Mass344.18563
SMILESCOc1ccc(CC2c3cc(O)c(OC)cc3CC[N+]2(C)C)cc1O
InChIInChI=1S/C20H25NO4/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23)/p+1
InChIKeyABSDACFLIMOXJY-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
tembetarine (CHEBI:136682) has functional parent reticuline (CHEBI:26533)
tembetarine (CHEBI:136682) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
(R)-tembetarine (CHEBI:134198) is a tembetarine (CHEBI:136682)
(S)-tembetarine (CHEBI:134199) is a tembetarine (CHEBI:136682)
IUPAC Name 
7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Registry NumbersSources
Reaxys:1553693Reaxys
Citations