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(Q82194325)
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BASED
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
474.08924305600004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₈N₈O₄S₂
0 references
canonical SMILES
C1=CC(=C(C=C1N=[N+]=[N-])O)C(=O)NCCSSCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O
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Identifiers
InChI
InChI=1S/C18H18N8O4S2/c19-25-23-11-1-3-13(15(27)9-11)17(29)21-5-7-31-32-8-6-22-18(30)14-4-2-12(24-26-20)10-16(14)28/h1-4,9-10,27-28H,5-8H2,(H,21,29)(H,22,30)
0 references
InChIKey
QQZOUYFHWKTGEY-UHFFFAOYSA-N
0 references
CAS Registry Number
199804-21-2
0 references
PubChem CID
3658531
1 reference
matched by identifier from
InChIKey
InChIKey
QQZOUYFHWKTGEY-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL44686
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QQZOUYFHWKTGEY-UHFFFAOYSA-N
UniChem compound ID
5240137
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90394743
1 reference
matched by identifier from
InChIKey
InChIKey
QQZOUYFHWKTGEY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80345603
0 references
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