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(Q82892410)
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English
1-{4-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}propan-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
368.209992756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H28N2O3/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,25H,2,12-17H2,1H3
0 references
InChIKey
ZQPXSRTZFYHSFB-UHFFFAOYSA-N
0 references
CAS Registry Number
91315-34-3
0 references
DSSTox substance ID
DTXSID00919825
0 references
DSSTOX compound identifier
DTXCID601348748
0 references
Human Metabolome Database ID
HMDB0249803
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZQPXSRTZFYHSFB-UHFFFAOYSA-N
UNII
R5YPG9LA47
1 reference
matched by identifier from
InChIKey
InChIKey
ZQPXSRTZFYHSFB-UHFFFAOYSA-N
Probes And Drugs ID
PD063074
0 references
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