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(Q82606763)
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English
1-(4-Methylpiperazin-1-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
344.2569
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₉BN₂O₃
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canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)N3CCN(CC3)C
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Identifiers
InChI
InChI=1S/C19H29BN2O3/c1-18(2)19(3,4)25-20(24-18)16-8-6-15(7-9-16)14-17(23)22-12-10-21(5)11-13-22/h6-9H,10-14H2,1-5H3
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InChIKey
CDLWYEGACFMAKG-UHFFFAOYSA-N
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CAS Registry Number
1010104-30-9
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PubChem CID
53217339
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matched by identifier from
InChIKey
InChIKey
CDLWYEGACFMAKG-UHFFFAOYSA-N
UniChem compound ID
24087168
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10682391
1 reference
matched by identifier from
InChIKey
InChIKey
CDLWYEGACFMAKG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50633140
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