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(1S,2R)-2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol--hydrogen chloride (1/1)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
299.16520675199996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
tramadol hydrochloride
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
trans-tramadol hydrochloride
1 reference
based on heuristic
inferred from InChI
(S,S)-tramadol hydrochloride
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₆ClNO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1cccc([C@]2(O)CCCC[C@@H]2CN(C)C)c1.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16-;/m1./s1
0 references
InChIKey
PPKXEPBICJTCRU-VNYZMKMESA-N
0 references
CAS Registry Number
36474-71-2
0 references
PubChem CID
23623939
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54640093
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10635221
0 references
DSSTOX compound identifier
DTXCID90585972
0 references
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