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(Q82253417)
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Lasofoxifene 2-Oxide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
427.214743788
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₈H₂₉NO₃
0 references
canonical SMILES
O=C1CCCN1CCOc1ccc(C2c3ccc(O)cc3CCC2c2ccccc2)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1CC(=O)N(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5
0 references
Identifiers
InChI
InChI=1S/C28H29NO3/c30-23-11-15-26-22(19-23)10-14-25(20-5-2-1-3-6-20)28(26)21-8-12-24(13-9-21)32-18-17-29-16-4-7-27(29)31/h1-3,5-6,8-9,11-13,15,19,25,28,30H,4,7,10,14,16-18H2/t25-,28+/m1/s1
0 references
InChIKey
YBFAWBLHDMBREC-NAKRPHOHSA-N
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CAS Registry Number
366017-88-1
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PubChem CID
10296135
1 reference
matched by identifier from
InChIKey
InChIKey
YBFAWBLHDMBREC-NAKRPHOHSA-N
UniChem compound ID
17097509
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90437841
1 reference
matched by identifier from
InChIKey
InChIKey
YBFAWBLHDMBREC-NAKRPHOHSA-N
DSSTOX compound identifier
DTXCID10388664
0 references
UNII
FNT0UY50G8
1 reference
matched by identifier from
InChIKey
InChIKey
YBFAWBLHDMBREC-NAKRPHOHSA-N
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