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English
[(2S,3R)-1-Benzyl-3-phenylazetidin-2-yl]methanol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
253.146664228
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
[(2R,3R)-1-Benzyl-3-phenylazetidin-2-yl]methanol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₉NO
0 references
canonical SMILES
OCC1C(c2ccccc2)CN1Cc1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1[C@H]([C@H](N1CC2=CC=CC=C2)CO)C3=CC=CC=C3
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Identifiers
InChI
InChI=1S/C17H19NO/c19-13-17-16(15-9-5-2-6-10-15)12-18(17)11-14-7-3-1-4-8-14/h1-10,16-17,19H,11-13H2/t16-,17+/m0/s1
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InChIKey
BNJWNPKWNPROAP-DLBZAZTESA-N
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CAS Registry Number
596104-99-3
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PubChem CID
71363577
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BNJWNPKWNPROAP-DLBZAZTESA-N
UniChem compound ID
58659292
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70787093
1 reference
matched by identifier from
InChIKey
InChIKey
BNJWNPKWNPROAP-DLBZAZTESA-N
DSSTOX compound identifier
DTXCID70737836
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