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(Q81976205)
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English
(E/Z)-(S)-furaltadone hydrochloride
group of stereoisomers
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
5-(morpholin-4-ylmethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one hydrochloride
0 references
mass
360.08366194399997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₇ClN₄O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl.O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cl.O=C1O[C@@H](CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1
1 reference
based on heuristic
inferred from InChI
different from
levofuraltadone hydrochloride
0 references
Identifiers
InChI
InChI=1S/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H/t11-;/m0./s1
0 references
InChIKey
PPSVFZXMDMUIGB-MERQFXBCSA-N
0 references
CAS Registry Number
3031-51-4
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ChemSpider ID
57523144
0 references
PubChem CID
5284428
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PPSVFZXMDMUIGB-MERQFXBCSA-N
UniChem compound ID
30788128
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID4020909
1 reference
matched by identifier from
InChIKey
InChIKey
PPSVFZXMDMUIGB-MERQFXBCSA-N
DSSTOX compound identifier
DTXCID60909
0 references
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