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(Q82966084)
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English
2-[4,4-Di(thiophen-2-yl)butan-2-yl]pyrrolidine--hydrogen chloride (1/1)
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
327.088219384
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂ClNS₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CC(c1cccs1)c1cccs1)C1CCCN1.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H21NS2.ClH/c1-12(14-5-2-8-17-14)11-13(15-6-3-9-18-15)16-7-4-10-19-16;/h3-4,6-7,9-10,12-14,17H,2,5,8,11H2,1H3;1H
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InChIKey
DJCHTAHAONOCOH-UHFFFAOYSA-N
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CAS Registry Number
63732-16-1
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DSSTox substance ID
DTXSID20980198
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DSSTOX compound identifier
DTXCID101407476
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