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(Q82269260)
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SCHEMBL9734685
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
245.141578848
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(S,S,S)-2-Azabicyclo[3,3,0]-octane-carboxylic acid benzylester hydrochloride
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₉NO₂
0 references
canonical SMILES
O=C(OCc1ccccc1)C1CC2CCCC2N1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@@H]2C[C@H](N[C@@H]2C1)C(=O)OCC3=CC=CC=C3
0 references
Identifiers
InChI
InChI=1S/C15H19NO2/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14/h1-3,5-6,12-14,16H,4,7-10H2/t12-,13-,14+/m1/s1
0 references
InChIKey
KEDWLCOPRDSQBB-MCIONIFRSA-N
0 references
CAS Registry Number
130609-48-2
0 references
PubChem CID
10955830
0 references
UniChem compound ID
24576380
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90449747
0 references
DSSTOX compound identifier
DTXCID20400568
0 references
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