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(Q82798502)
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English
(1R)-3-Thia-7,9-diazabicyclo[4.2.2]decane-8,10-dione
group of stereoisomers with the chemical formula C₇H₁₀N₂O₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
186.04629856
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₀N₂O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC1=NC2CSCCC1N=C2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1N[C@H]2CSCCC1NC2=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H10N2O2S/c10-6-4-1-2-12-3-5(9-6)7(11)8-4/h4-5H,1-3H2,(H,8,11)(H,9,10)/t4?,5-/m0/s1
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InChIKey
FGKFRGJZMRKALZ-AKGZTFGVSA-N
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CAS Registry Number
61366-06-1
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PubChem CID
71396473
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60930515
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30818034
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DSSTOX compound identifier
DTXCID20768776
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