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CHEBI:134210 - (R)-laudanosine(1+)

ChEBI IDCHEBI:134210
ChEBI Name(R)-laudanosine(1+)
Stars
ASCII Name(R)-laudanosine(1+)
DefinitionAn organic cation that is the conjugate acid of (R)-laudanosine, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified5 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H28NO4
Net Charge+1
Average Mass358.458
Monoisotopic Mass358.20128
SMILESCOc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1OC
InChIInChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/p+1/t17-/m1/s1
InChIKeyKGPAYJZAMGEDIQ-QGZVFWFLSA-O
ChEBI Ontology
Outgoing Relation(s)
(R)-laudanosine(1+) (CHEBI:134210) is a ammonium ion derivative (CHEBI:35274)
(R)-laudanosine(1+) (CHEBI:134210) is a organic cation (CHEBI:25697)
(R)-laudanosine(1+) (CHEBI:134210) is conjugate acid of (R)-laudanosine (CHEBI:136734)
Incoming Relation(s)
(R)-laudanosine (CHEBI:136734) is conjugate base of (R)-laudanosine(1+) (CHEBI:134210)
IUPAC Name 
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Synonyms  Source
(R)-laudanosine cationChEBI
(R)-laudanosinumChEBI
UniProt Name  Source
(R)-N-methyltetrahydropapaverineUniProt
Citations