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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24O7
Molecular Weight 400.4218
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 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

SMILES

CC(=O)C1=CC=C(CC2=CC3=C(CO[C@]34O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C2)C=C1

InChI

InChIKey=RFOIXGIXQBMUFU-BDHVOXNPSA-N
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

HIDE SMILES / InChI

Molecular Formula C22H24O7
Molecular Weight 400.4218
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:45:59 GMT 2025
Edited
by admin
on Mon Mar 31 21:45:59 GMT 2025
Record UNII
GNW50P6PXL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
Systematic Name English
TOFOGLIFLOZIN METABOLITE M5
Preferred Name English
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)-
Systematic Name English
Code System Code Type Description
PUBCHEM
57556415
Created by admin on Mon Mar 31 21:45:59 GMT 2025 , Edited by admin on Mon Mar 31 21:45:59 GMT 2025
PRIMARY
FDA UNII
GNW50P6PXL
Created by admin on Mon Mar 31 21:45:59 GMT 2025 , Edited by admin on Mon Mar 31 21:45:59 GMT 2025
PRIMARY
CAS
903566-39-2
Created by admin on Mon Mar 31 21:45:59 GMT 2025 , Edited by admin on Mon Mar 31 21:45:59 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE