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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32245 - tolterodine tartrate
Main
ChEBI Ontology
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ChEBI Name
tolterodine tartrate
ChEBI ID
CHEBI:32245
Stars
This entity has been manually annotated by the ChEBI Team.
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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-
[(1
R
)-
3-
(diisopropylamino)-
1-
phenylpropyl]-
4-
methylphenol (2
R
,3
R
)-
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