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Substance Name: 1-(4-(((3S,3'R,4'S,5'S,6'R)-3',4',5'-Trihydroxy-6'-(hydroxymethyl)spiro(1H-isobenzofuran-3,2'-tetrahydropyran)-5-yl)methyl)phenyl)ethanone
RN: 903566-39-2
UNII: GNW50P6PXL
InChIKey: RFOIXGIXQBMUFU-BDHVOXNPSA-N

Molecular Formula

  • C22-H24-O7

Molecular Weight

  • 400.4246
 
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Names and Synonyms

Name of Substance

  • 1-(4-(((3S,3'R,4'S,5'S,6'R)-3',4',5'-Trihydroxy-6'-(hydroxymethyl)spiro(1H-isobenzofuran-3,2'-tetrahydropyran)-5-yl)methyl)phenyl)ethanone

Synonyms

  • 1-(4-(((3S,3'R,4'S,5'S,6'R)-3',4',5'-Trihydroxy-6'-(hydroxymethyl)spiro(1H-isobenzofuran-3,2'-tetrahydropyran)-5-yl)methyl)phenyl)ethanone
  • Ethanone, 1-(4-(((1S,3'R,4'S,5'S,6'R)-3',4',5',6'-tetrahydro-3',4',5'-trihydroxy-6'-(hydroxymethyl)spiro(isobenzofuran-1(3H),2'-(2H)pyran)-6-yl)methyl)phenyl)-
  • Tofogliflozin metabolite M5
  • UNII-GNW50P6PXL

Registry Numbers

CAS Registry Number

  • 903566-39-2

FDA UNII

  • GNW50P6PXL

System Generated Number

  • 0903566392

Structure Descriptors

InChI

1S/C22H24O7/c1-12(24)15-5-2-13(3-6-15)8-14-4-7-16-11-28-22(17(16)9-14)21(27)20(26)19(25)18(10-23)29-22/h2-7,9,18-21,23,25-27H,8,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1

InChIKey

RFOIXGIXQBMUFU-BDHVOXNPSA-N

Smiles

CC(=O)c1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3