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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24O8
Molecular Weight 416.4212
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(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)ACETIC ACID

SMILES

OC[C@H]1O[C@]2(OCC3=CC=C(CC4=CC=C(CC(O)=O)C=C4)C=C23)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=JMWQLPYVTHCAOG-VOFPXKNKSA-N
InChI=1S/C22H24O8/c23-10-17-19(26)20(27)21(28)22(30-17)16-8-14(5-6-15(16)11-29-22)7-12-1-3-13(4-2-12)9-18(24)25/h1-6,8,17,19-21,23,26-28H,7,9-11H2,(H,24,25)/t17-,19-,20+,21-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24O8
Molecular Weight 416.4212
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 Sat Dec 16 08:43:45 UTC 2023
Edited
by admin
on Sat Dec 16 08:43:45 UTC 2023
Record UNII
7XFR17ALIV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(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)ACETIC ACID
Systematic Name English
TOFOGLIFLOZIN METABOLITE M1
Common Name English
TOFOGLIFLOZIN ACETIC ACID METABOLITE
Common Name English
Code System Code Type Description
FDA UNII
7XFR17ALIV
Created by admin on Sat Dec 16 08:43:46 UTC 2023 , Edited by admin on Sat Dec 16 08:43:46 UTC 2023
PRIMARY
PUBCHEM
76961597
Created by admin on Sat Dec 16 08:43:46 UTC 2023 , Edited by admin on Sat Dec 16 08:43:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
TAKEN FROM AUC
MAJOR
PLASMA