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(Q76506744)
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English
(2S,6R)-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
179.094628656
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₃NO₂
0 references
canonical SMILES
O=C1NC(=O)C2C3CCC(CC3)C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1CC2CCC1[C@H]3[C@@H]2C(=O)NC3=O
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Identifiers
InChI
InChI=1S/C10H13NO2/c12-9-7-5-1-2-6(4-3-5)8(7)10(13)11-9/h5-8H,1-4H2,(H,11,12,13)/t5?,6?,7-,8+
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InChIKey
GZCMBOIXKWSTSJ-HYNHDVCUSA-N
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CAS Registry Number
85922-86-7
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PubChem CID
15581987
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UniChem compound ID
49214558
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60574853
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID80525625
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