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(Q76309435)
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English
ethyl 3-[(1R,9R,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]propanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
morphinan alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
343.214743788
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₉NO₃
0 references
canonical SMILES
CCOC(=O)CCN1CCC23CCCCC2C1Cc1ccc(O)cc13
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
0 references
Identifiers
InChI
InChI=1S/C21H29NO3/c1-2-25-20(24)8-11-22-12-10-21-9-4-3-5-17(21)19(22)13-15-6-7-16(23)14-18(15)21/h6-7,14,17,19,23H,2-5,8-13H2,1H3/t17-,19+,21+/m0/s1
0 references
InChIKey
KZMCVOKOQSNJPG-FBBABVLZSA-N
0 references
PubChem CID
5486099
1 reference
matched by identifier from
InChIKey
InChIKey
KZMCVOKOQSNJPG-FBBABVLZSA-N
UniChem compound ID
44415790
1 reference
stated in
UniChem
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