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(Q82842298)
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English
methyl 6,8-dideoxy-6-(1-methyl-4-propyl-2-pyrrolidinecarboxamido)-1-thio-D-erythro-alpha-D-galactooctopyranoside hydrochloride
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
442.19043551999994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₅ClN₂O₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC1CC(C(O)=NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC[C@@H]1C[C@@H](C(O)=N[C@@H](C(C)O)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9?,10-,11+,12+,13+,14-,15-,16+,18-;/m1./s1
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InChIKey
POUMFISTNHIPTI-GUIXFHGPSA-N
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CAS Registry Number
1398534-62-7
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PubChem CID
71432748
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UniChem compound ID
63590266
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20849438
0 references
DSSTOX compound identifier
DTXCID10800179
0 references
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