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(Q82938134)
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English
1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis[2-(4-methylpiperidin-1-yl)ethan-1-ol]--hydrogen bromide (1/2)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
596.1613027840001
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₂Br₂N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Br.Br.CC1CCN(CC(O)c2ccc(-c3ccc(C(O)CN4CCC(C)CC4)cc3)cc2)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H40N2O2.2BrH/c1-21-11-15-29(16-12-21)19-27(31)25-7-3-23(4-8-25)24-5-9-26(10-6-24)28(32)20-30-17-13-22(2)14-18-30;;/h3-10,21-22,27-28,31-32H,11-20H2,1-2H3;2*1H
0 references
InChIKey
KDXKKPBMKZACBD-UHFFFAOYSA-N
0 references
CAS Registry Number
36341-97-6
0 references
PubChem CID
161902
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
DSSTox substance ID
DTXSID80957684
0 references
DSSTOX compound identifier
DTXCID201385615
0 references
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