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(Q82963258)
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English
1-[3-(4-Bromophenyl)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
343.070239516
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₃BrClN
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CNCC1C2CCC(CC2)C1c1ccc(Br)cc1.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CNC[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Br)cc1.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H22BrN.ClH/c1-18-10-15-11-2-4-12(5-3-11)16(15)13-6-8-14(17)9-7-13;/h6-9,11-12,15-16,18H,2-5,10H2,1H3;1H/t11?,12?,15-,16-;/m1./s1
0 references
InChIKey
QTVXKUYKNKHQPH-SNDRXHBGSA-N
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CAS Registry Number
62374-12-3
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DSSTox substance ID
DTXSID30977933
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DSSTOX compound identifier
DTXCID001405265
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