CHEBI:32245 - tolterodine tartrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tolterodine tartrate
ChEBI ID CHEBI:32245
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C22H31NO.C4H6O6
C26H37NO7
Net Charge 0
Average Mass 475.57452
Monoisotopic Mass 475.25700
InChI InChI=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
InChIKey ZVWTZIIVXMNVTB-QKSQPQDESA-P
SMILES [H+].[H+].OC(=O)[C@@H]([O-])[C@H]([O-])C(O)=O.CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
ChEBI Ontology
Outgoing 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 Sources
(+)-(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 Xrefs Databases
D01148 KEGG DRUG
DB01036 DrugBank
View more database links
Registry Numbers Types Sources
124937-52-6 CAS Registry Number ChemIDplus
8601255 Beilstein Registry Number Beilstein
Last Modified
19 December 2008