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(Q82990894)
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English
[3-(Acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl](phenyl)methyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
331.17835828000005
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
[(1R,2S,3R,5S)-2-[(S)-acetyloxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₅NO₄
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canonical SMILES
CC(=O)OC1CC2CCC(C1C(OC(C)=O)c1ccccc1)N2C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@H]([C@@H]1[C@H](C3=CC=CC=C3)OC(=O)C)N2C
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Identifiers
InChI
InChI=1S/C19H25NO4/c1-12(21)23-17-11-15-9-10-16(20(15)3)18(17)19(24-13(2)22)14-7-5-4-6-8-14/h4-8,15-19H,9-11H2,1-3H3/t15-,16+,17-,18-,19-/m0/s1
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InChIKey
HREZYWBVKYGIRM-PJVZLEMVSA-N
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CAS Registry Number
77053-07-7
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PubChem CID
156991
1 reference
matched by identifier from
InChIKey
InChIKey
HREZYWBVKYGIRM-PJVZLEMVSA-N
UniChem compound ID
48308769
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80998335
1 reference
matched by identifier from
InChIKey
InChIKey
HREZYWBVKYGIRM-PJVZLEMVSA-N
DSSTOX compound identifier
DTXCID701425325
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