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CHEBI:174330 - b-Dihydrotetrabenazine

ChEBI IDCHEBI:174330
ChEBI Nameb-Dihydrotetrabenazine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H29NO3
Net Charge0
Average Mass319.445
Monoisotopic Mass319.21474
SMILESCOc1cc2c(cc1OC)C1CC(O)C(CC(C)C)CN1CC2
InChIInChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3
InChIKeyWEQLWGNDNRARGE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
b-Dihydrotetrabenazine (CHEBI:174330) is a isoquinolines (CHEBI:24922)
IUPAC Name 
9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
Manual XrefsDatabases
HMDB0060578HMDB
110379ChemSpider
Registry NumbersSources
CAS:3466-75-9ChemIDplus