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(Q82696749)
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English
(3R,4R)-1-Ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol--hydrogen chloride (1/1)
group of stereoisomers with the chemical formula C₈H₁₈ClNO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
227.092435736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₈ClNO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCN1CC(O)C(O)C(O)C1CO.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCN1CC(O)[C@@H](O)[C@H](O)C1CO.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H17NO4.ClH/c1-2-9-3-6(11)8(13)7(12)5(9)4-10;/h5-8,10-13H,2-4H2,1H3;1H/t5?,6?,7-,8-;/m1./s1
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InChIKey
YVZSBJPQUMOYLM-YSPZXBHMSA-N
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CAS Registry Number
210241-65-9
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PubChem CID
71316559
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45462797
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30747754
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DSSTOX compound identifier
DTXCID70698498
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