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(Q82972700)
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English
6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate
group of stereoisomers with the chemical formula C₂₀H₂₃NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
341.16270821600006
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₃NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(=O)Oc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4C(C2)N(C)CC[C@@]341
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H23NO4/c1-3-16(23)24-15-7-4-11-10-13-12-5-6-14(22)19-20(12,8-9-21(13)2)17(11)18(15)25-19/h4-7,12-14,19,22H,3,8-10H2,1-2H3/t12-,13?,14-,19-,20-/m0/s1
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InChIKey
LSYABJYKSBROSB-ZMWMKAGOSA-N
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CAS Registry Number
66640-97-9
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PubChem CID
163125
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42105372
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10985218
0 references
DSSTOX compound identifier
DTXCID801412416
0 references
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