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(Q82387006)
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English
2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S,1'R,2'S)-loxoprofen trans-alcohol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C(=O)O)c1ccc(CC2CCCC2O)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-,14+/m1/s1
0 references
InChIKey
SHAHPWSYJFYMRX-ADSMYIAOSA-N
0 references
CAS Registry Number
371753-19-4
0 references
PubChem CID
13148395
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
SHAHPWSYJFYMRX-ADSMYIAOSA-N
UniChem compound ID
927658
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50522065
1 reference
matched by identifier from
InChIKey
InChIKey
SHAHPWSYJFYMRX-ADSMYIAOSA-N
DSSTOX compound identifier
DTXCID70472871
0 references
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