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(Q82906463)
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English
3,3-Dichloro-4-[chloro(phenyl)methyl]-1-methyl-5-phenylpyrrolidin-2-one
group of stereoisomers with the chemical formula C₁₈H₁₆Cl₃NO
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
367.029747172
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₆Cl₃NO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1C(=O)C(Cl)(Cl)C(C(Cl)c2ccccc2)C1c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C(=O)C(Cl)(Cl)C([C@@H](Cl)c2ccccc2)[C@H]1c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H16Cl3NO/c1-22-16(13-10-6-3-7-11-13)14(18(20,21)17(22)23)15(19)12-8-4-2-5-9-12/h2-11,14-16H,1H3/t14?,15-,16+/m0/s1
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InChIKey
PACBIDNYBJLZNM-MERJSTESSA-N
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CAS Registry Number
141032-42-0
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PubChem CID
132325
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
61143155
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40930973
0 references
DSSTOX compound identifier
DTXCID901359691
0 references
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