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(Q82774055)
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English
[(2R,4S,5R)-5-Phenyl-2-(propan-2-yl)pyrrolidine-2,4-diyl]dimethanol
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
249.172878976
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₃NO₂
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canonical SMILES
CC(C)C1(CO)CC(CO)C(c2ccccc2)N1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)[C@]1(C[C@@H]([C@@H](N1)C2=CC=CC=C2)CO)CO
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Identifiers
InChI
InChI=1S/C15H23NO2/c1-11(2)15(10-18)8-13(9-17)14(16-15)12-6-4-3-5-7-12/h3-7,11,13-14,16-18H,8-10H2,1-2H3/t13-,14+,15+/m1/s1
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InChIKey
RMKZLHRHBVMPAW-ILXRZTDVSA-N
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CAS Registry Number
648419-88-9
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PubChem CID
71378488
1 reference
matched by identifier from
InChIKey
InChIKey
RMKZLHRHBVMPAW-ILXRZTDVSA-N
UniChem compound ID
48729189
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10801101
1 reference
matched by identifier from
InChIKey
InChIKey
RMKZLHRHBVMPAW-ILXRZTDVSA-N
DSSTOX compound identifier
DTXCID60751844
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