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461432-26-8,MFCD13182359
Catalog No.:AA0039DR

461432-26-8 | (2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol

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100mg
97%
in stock  
$24.00   $17.00
- +
250mg
97%
in stock  
$38.00   $27.00
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1g
97%
in stock  
$73.00   $51.00
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5g
97%
in stock  
$229.00   $160.00
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25g
97%
in stock  
$725.00   $507.00
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100g
98%
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$2,804.00   $1,963.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0039DR
Chemical Name:
(2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Number:
461432-26-8
Molecular Formula:
C21H25ClO6
Molecular Weight:
408.8726
MDL Number:
MFCD13182359
SMILES:
CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Properties
Computed Properties
 
Complexity:
472  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
6  
XLogP3:
2.3  

Downstream Synthesis Route
461432-26-8    4254-15-3   
dapagliflozin(S)propyleneglycolhydrate 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2008/4336,2008,A1Locationinpatent:Page/Pagecolumn21-22

[2]CurrentPatentAssignee:ASTRAZENECAPLC-US2008/4336,2008,A1Locationinpatent:Page/Pagecolumn19-20

[3]CurrentPatentAssignee:ASTRAZENECAPLC-US2008/234366,2008,A1Locationinpatent:Page/Pagecolumn14;15

[1]Patent:CN109400561,2019,A.Locationinpatent:Paragraph0083;0085-0087;0089-0091;0093-0095;0097;0098

[2]Patent:CN107540648,2018,A.Locationinpatent:Paragraph0041;0042;0054;0055

[3]Patent:CN107573311,2018,A.Locationinpatent:Paragraph0015;0022

[4]Patent:CN108084130,2019,B.Locationinpatent:Paragraph0050;0072-0074

[5]Patent:CN105481915,2016,A.Locationinpatent:Paragraph0023;0024

[6]Patent:US2008/4336,2008,A1.Locationinpatent:Page/Pagecolumn21-22

[7]Patent:WO2010/22313,2010,A2.Locationinpatent:Page/Pagecolumn35;38-39

[8]Patent:US2013/267694,2013,A1.Locationinpatent:Page/Pagecolumn0316

[9]Patent:WO2013/152476,2013,A1.Locationinpatent:Paragraph0260

[10]Patent:WO2013/152476,2013,A1

[11]Patent:US2017/29398,2017,A1.Locationinpatent:Paragraph0082-0083

[12]Patent:WO2017/221211,2017,A1.Locationinpatent:Page/Pagecolumn18

461432-26-8    147-85-3   
(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolbis(L-proline)cocrystal 

[1]Patent:WO2010/22313,2010,A2.Locationinpatent:Page/Pagecolumn35;38-39

[2]Patent:US2008/4336,2008,A1.Locationinpatent:Page/Pagecolumn23

[3]Patent:US2013/267694,2013,A1.Locationinpatent:Page/Pagecolumn0317;0318

[4]Patent:WO2013/152654,2013,A1.Locationinpatent:Paragraph0273

[1]Patent:US2008/4336,2008,A1.Locationinpatent:Page/Pagecolumn23-24

[2]Patent:WO2016/147197,2016,A1.Locationinpatent:Page/Pagecolumn18

[3]Patent:WO2017/42683,2017,A1.Locationinpatent:Page/Pagecolumn30

461432-26-8    147-85-3   
C5H9NO2*C21H25ClO6*0.5H2O 

[1]Patent:US2008/4336,2008,A1.Locationinpatent:Page/Pagecolumn24

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SDS
Tags:461432-26-8 Molecular Formula|461432-26-8 MDL|461432-26-8 SMILES|461432-26-8 (2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol