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(Q82900083)
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English
4-(4-Nitrophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
365.1197978480001
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₉N₃O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=[N+]([O-])c1ccc(C2NCc3c(sc4c3CCCC4)-n3cccc32)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H19N3O2S/c24-23(25)14-9-7-13(8-10-14)19-17-5-3-11-22(17)20-16(12-21-19)15-4-1-2-6-18(15)26-20/h3,5,7-11,19,21H,1-2,4,6,12H2
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InChIKey
SJQRDUNMIHRAGS-UHFFFAOYSA-N
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CAS Registry Number
126684-63-7
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DSSTox substance ID
DTXSID50925678
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DSSTOX compound identifier
DTXCID101354504
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