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(Q82956541)
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English
6,11-Dimethyl-3-[(oxolan-2-yl)methyl]-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
301.204179104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₇NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CCCO1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C[C@H]1CCCO1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13?,16-,18-,19-/m1/s1
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InChIKey
NLKLXMMOJZHSCB-SENCRUMESA-N
0 references
CAS Registry Number
57236-85-8
0 references
PubChem CID
123980
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56109697
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20972735
0 references
DSSTOX compound identifier
DTXCID601400201
0 references
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