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(Q82963253)
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English
1-[3-(2,4-Dichlorophenyl)bicyclo[2.2.2]octan-2-yl]-N-methylmethanamine--hydrogen chloride (1/1)
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
333.08178274399995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂Cl₃N
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CNCC1C2CCC(CC2)C1c1ccc(Cl)cc1Cl.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CNC[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)cc1Cl.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H21Cl2N.ClH/c1-19-9-14-10-2-4-11(5-3-10)16(14)13-7-6-12(17)8-15(13)18;/h6-8,10-11,14,16,19H,2-5,9H2,1H3;1H/t10?,11?,14-,16-;/m1./s1
0 references
InChIKey
QDIAZDALZWTDAS-UCCWGRJBSA-N
0 references
CAS Registry Number
62374-10-1
0 references
DSSTox substance ID
DTXSID10977931
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DSSTOX compound identifier
DTXCID601405263
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