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(Q83036182)
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English
Acetamide, N-(2-chloro-4-(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)phenyl)-, monohydrochloride
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
347.02620308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₅Cl₂N₃O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=Nc1ccc(C(=O)CSC2=NCCN2)cc1Cl.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H14ClN3O2S.ClH/c1-8(18)17-11-3-2-9(6-10(11)14)12(19)7-20-13-15-4-5-16-13;/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,17,18);1H
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InChIKey
VMCUMVVMBWQGRC-UHFFFAOYSA-N
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CAS Registry Number
160518-39-8
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DSSTox substance ID
DTXSID70166905
1 reference
matched by identifier from
InChIKey
InChIKey
VMCUMVVMBWQGRC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1089396
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