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CHEBI:32245 - tolterodine tartrate

ChEBI IDCHEBI:32245
ChEBI Nametolterodine tartrate
Stars
Last Modified19 December 2008
DownloadsMolfile
Formula2H.C22H31NO.C4H4O6
Net Charge0
Average Mass475.582
Monoisotopic Mass475.25700
SMILESCc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)[C@@H]([O-])[C@H]([O-])C(=O)O.[H+].[H+]
InChIInChI=1S/C22H31NO.C4H4O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2H,(H,7,8)(H,9,10)/q;-2/p+2/t20-;1-,2-/m10/s1
InChIKeyZVWTZIIVXMNVTB-QKSQPQDESA-P
ChEBI Ontology
Outgoing Relation(s)
tolterodine tartrate (CHEBI:32245) has part tolterodine (CHEBI:9622)
tolterodine tartrate (CHEBI:32245) is a tartrate salt (CHEBI:50562)
IUPAC Name 
2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol (2R,3R)-2,3-dihydroxybutanedioic acid hydrate
Synonyms  Source
(+)-(R)-2-(I-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol L-tartrate (1:1) (salt)ChemIDplus
(R)-2-(3-(Bis(1-methylethyl)amino)-1-phenylpropyl)-4-methylphenol (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)(salt)ChemIDplus
Manual XrefsDatabases
DB01036DrugBank
D01148KEGG DRUG
Registry NumbersSources
Beilstein:8601255Beilstein
CAS:124937-52-6ChemIDplus