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(Q82006172)
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English
BRN 0556336
chemical compound
[4-(2-Methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
288.1473925
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1CCC2CC1N(C(=O)c1ccc(CC(=O)O)cc1)C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H20N2O3/c1-17-7-6-12-8-14(17)18(10-12)16(21)13-4-2-11(3-5-13)9-15(19)20/h2-5,12,14H,6-10H2,1H3,(H,19,20)
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InChIKey
LVDCIFZWIXIYMZ-UHFFFAOYSA-N
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CAS Registry Number
5898-19-1
reason for deprecated rank
deprecated identifier value
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57269-43-9
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PubChem CID
93612
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UniChem compound ID
60704056
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60275914
0 references
DTXSID10972769
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DSSTOX compound identifier
DTXCID40227279
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DTXCID60876283
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