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English
(6alpha)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--hydrogen chloride (1/1)
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
321.11317118
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀ClNO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1CCC23c4c5ccc(O)c4OC2[C@@H](O)C=CC3C1C5.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10?,11?,13-,16?,17?;/m0./s1
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InChIKey
XCKKIKBIPZJUET-MXXLTCJRSA-N
0 references
CAS Registry Number
118357-24-7
0 references
PubChem CID
16219645
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
22981542
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40585220
0 references
DSSTOX compound identifier
DTXCID20535985
0 references
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