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English
Fesoterodine
chemical compound
2-Methylpropanoic acid 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
411.277344044
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
fesoterodine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₇NO₃
0 references
canonical SMILES
CC(C)C(=O)Oc1ccc(CO)cc1C(CCN(C(C)C)C(C)C)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1
0 references
InChIKey
DCCSDBARQIPTGU-HSZRJFAPSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
250214-44-9
0 references
PubChem CID
6918558
1 reference
matched by identifier from
InChIKey
InChIKey
DCCSDBARQIPTGU-HSZRJFAPSA-N
ChEBI ID
135920
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1
SureChEMBL ID
SCHEMBL121127
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DCCSDBARQIPTGU-HSZRJFAPSA-N
DSSTox substance ID
DTXSID80182853
1 reference
matched by identifier from
InChIKey
InChIKey
DCCSDBARQIPTGU-HSZRJFAPSA-N
DrugBank ID
DB06702
1 reference
matched by identifier from
InChIKey
InChIKey
DCCSDBARQIPTGU-HSZRJFAPSA-N
Human Metabolome Database ID
HMDB0015648
1 reference
matched by identifier from
InChIKey
InChIKey
DCCSDBARQIPTGU-HSZRJFAPSA-N
UNII
621G617227
1 reference
matched by identifier from
InChIKey
InChIKey
DCCSDBARQIPTGU-HSZRJFAPSA-N
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